Vitas-M small molecule compound
5-[(5Z)-4-oxo-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
Catalog ID
STL466366
SMILES OC(=O)CCCCN1C(=S)S/C(=C\N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C1=O
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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 C20H23N3O4S2 MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O4S2/c24-17-5-3-4-15-14-8-13(10-23(15)17)9-21(11-14)12-16-19(27)22(20(28)29-16)7-2-1-6-18(25)26/h3-5,12-14H,1-2,6-11H2,(H,25,26)/b16-12-/t13-,14+/m0/s1InChIKey
DFGQAXWJOJKGKL-XKSMIVTLSA-NSynonyms
5((5Z)4oxo5(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methylidene)2thioxo13thiazolidin3yl)pentanoicacid
5((Z)4oxo5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methylene)2thioxothiazolidin3yl)pentanoicacid
C1C2CN(CC1C3=CC=CC(=O)N3C2)C=C4C(=O)N(C(=S)S4)CCCCC(=O)O
InChI=1SC20H23N3O4S2c24175341514813(1023(15)17)921(1114)121619(27)22(20(28)2916)721618(25)26h351214H12611H2(H2526)b1612t1314+m1s1
MFCD32649591
OC(=O)CCCCN1C(=S)SC(=CN2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C1=O
OC(=O)CCCCN1C(=S)SC(=CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C1=O
ZINC000100788704
ZINC8764905
Check stock
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Check stock on Vitas-MAvailable files
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