Vitas-M small molecule compound
S-benzyl-N-(3-hydroxypropyl)-N~2~-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}-L-cysteinamide
Catalog ID
STK615557
SMILES OCCCNC(=O)[C@@H](NC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2)CSCc1ccccc1
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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 C28H32N2O6S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O6S/c1-18-13-23(26-20-9-5-10-21(20)28(34)36-24(26)14-18)35-15-25(32)30-22(27(33)29-11-6-12-31)17-37-16-19-7-3-2-4-8-19/h2-4,7-8,13-14,22,31H,5-6,9-12,15-17H2,1H3,(H,29,33)(H,30,32)/t22-/m0/s1InChIKey
JSMXEDAVUKYGAV-QFIPXVFZSA-NSynonyms
1013754-75-0(2R)3benzylsulfanylN(3hydroxypropyl)2((2((7methyl4oxo23dihydro1Hcyclopenta(c)chromen9yl)oxy)acetyl)amino)propanamide
(R)3(benzylthio)N(3hydroxypropyl)2(2((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)acetamido)propanamide
1013754750
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)NCCCO
InChI=1SC28H32N2O6Sc1181323(2620951021(20)28(34)3624(26)1418)351525(32)3022(27(33)291161231)173716197324819h247813142231H569121517H21H3(H2933)(H3032)t22m0s1
MFCD08289225
OCCCNC(=O)(C@@H)(NC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2)CSCc1ccccc1
SbenzylN(3hydroxypropyl)N~2~(((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)acetyl)Lcysteinamide
ZINC000009410169
ZINC09410169
ZINC9410169
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.