Vitas-M small molecule compound

S-benzyl-N-propan-2-yl-N~2~-[3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-cysteinamide

Catalog ID
STK604454
SMILES O=C(N[C@H](C(=O)NC(C)C)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C

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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 C36H38N2O5S MW 610.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38N2O5S/c1-21(2)37-35(40)30(20-44-19-25-12-8-6-9-13-25)38-31(39)17-16-27-22(3)28-18-29-32(26-14-10-7-11-15-26)24(5)42-34(29)23(4)33(28)43-36(27)41/h6-15,18,21,30H,16-17,19-20H2,1-5H3,(H,37,40)(H,38,39)/t30-/m0/s1
InChIKey
UOBNMTJOQPVHLL-PMERELPUSA-N
Synonyms
1212251-40-5
(2R)3benzylsulfanylNpropan2yl2(3(259trimethyl7oxo3phenylfuro(32g)chromen6yl)propanoylamino)propanamide
(R)3(benzylthio)Nisopropyl2(3(259trimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanamido)propanamide
1212251405
CC1=C(C(=O)OC2=C1C=C3C(=C(OC3=C2C)C)C4=CC=CC=C4)CCC(=O)NC(CSCC5=CC=CC=C5)C(=O)NC(C)C
InChI=1SC36H38N2O5Sc121(2)3735(40)30(20441925128691325)3831(39)17162722(3)28182932(2614107111526)24(5)4234(29)23(4)33(28)4336(27)41h615182130H16171920H215H3(H3740)(H3839)t30m0s1
MFCD18158619
O=C(N(C@H)(C(=O)NC(C)C)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C
SbenzylNpropan2ylN~2~(3(259trimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanoyl)Lcysteinamide
SBENZYLNPROPAN2YLN2(3(259TRIMETHYL7OXO3PHENYL7HFURO(32G)CHROMEN6YL)PROPANOYL)LCYSTEINAMIDE
ZINC000101511154
ZINC101511154

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Available files

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