Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)glycyltryptophan
Catalog ID
STL527215
SMILES O=C(NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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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 C38H47N3O9 MW 689.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N3O9/c1-36-14-11-24(42)18-23(36)7-8-26-27(36)12-15-37(2)28(26)13-16-38(37,49)31(43)21-50-34(46)10-9-32(44)40-20-33(45)41-30(35(47)48)17-22-19-39-29-6-4-3-5-25(22)29/h3-6,18-19,26-28,30,39,49H,7-17,20-21H2,1-2H3,(H,40,44)(H,41,45)(H,47,48)/tInChIKey
JSQRMXTWGNYVKY-WZVLIUQHSA-NSynonyms
2((2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)acetyl)amino)3(1~(H)indol3yl)propanoicacid
2(2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)acetamido)3(1Hindol3yl)propanoicacid
44662107
InChI=1SC38H47N3O9c136141124(42)1823(36)782627(36)121537(2)28(26)131638(3749)31(43)215034(46)10932(44)402033(45)4130(35(47)48)1722193929643525(22)29h3618192628303949H7172021H212H3(H4044)(H4145)(H4748)t26?27?28?30?363738m0s1
MFCD03267773
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)glycyltryptophan
O=C(NCC(=O)NC(C(=O)O)Cc1c(nH)c2c1cccc2)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253505359
ZINC000253505365
Check stock
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