Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{6-oxo-6-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]hexyl}propanamide
Catalog ID
STL562115
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C45H53N3O10 MW 795.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H53N3O10/c1-28-10-8-13-33(49)12-5-2-4-11-31-21-36(50)43(44(54)42(31)45(55)58-28)34(30-17-18-37-38(22-30)57-27-56-37)23-39(51)46-19-7-3-6-15-40(52)47-24-29-20-32(26-47)35-14-9-16-41(53)48(35)25-29/h4,9,11,14,16-18,21-22,28-29,32,34,50,54H,2-3,5InChIKey
RBVRRXMLAMLVMQ-YZQOXECZSA-NSynonyms
12A)(15)DIAZOCIN3(4H)YL)HEXYL)PROPANAMIDE
145705466
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(6oxo6((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)hexyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(6oxo6((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)hexyl)propanamide
InChI=1SC45H53N3O10c1281081333(49)1252411312136(50)43(44(54)42(31)45(55)5828)34(3017183738(2230)57275637)2339(51)46197361540(52)4724292032(2647)351491641(53)48(35)2529h49111416182122282932345054H23581012131519202327H21H3(H4651)b114+t2829+3234?m0s1
MFCD32651169
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC001848443428
ZINC001848443429
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