Vitas-M small molecule compound

N-[(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-S-benzyl-D-cysteine

Catalog ID
STK588644
SMILES O=C(N[C@@H](C(=O)O)CSCc1ccccc1)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)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 C33H30N2O7S MW 598.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O7S/c1-19-23-13-25-28(41-20(2)31(25)22-11-7-4-8-12-22)15-27(23)42-33(40)24(19)14-29(36)34-16-30(37)35-26(32(38)39)18-43-17-21-9-5-3-6-10-21/h3-13,15,26H,14,16-18H2,1-2H3,(H,34,36)(H,35,37)(H,38,39)/t26-/m1/s1
InChIKey
XQMDCANVOAXCDC-AREMUKBSSA-N
Synonyms
1014043-75-4
(2S)3benzylsulfanyl2((2((2(25dimethyl7oxo3phenylfuro(32g)chromen6yl)acetyl)amino)acetyl)amino)propanoicacid
(S)3(benzylthio)2(2(2(25dimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)acetamido)acetamido)propanoicacid
1014043754
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)CC(=O)NCC(=O)NC(CSCC5=CC=CC=C5)C(=O)O
InChI=1SC33H30N2O7Sc11923132528(4120(2)31(25)22117481222)1527(23)4233(40)24(19)1429(36)341630(37)3526(32(38)39)1843172195361021h3131526H141618H212H3(H3436)(H3537)(H3839)t26m1s1
MFCD08284501
N((25dimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)acetyl)glycylSbenzylDcysteine
O=C(N(C@@H)(C(=O)O)CSCc1ccccc1)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)C
ZINC000097957076
ZINC97957076

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Available files

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