Vitas-M small molecule compound

4-({S-benzyl-N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-cysteinyl}amino)butanoic acid

Catalog ID
STK572143
SMILES O=C(N[C@H](C(=O)NCCCC(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)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 C32H36N2O7S MW 592.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O7S/c1-18-21(4)40-29-20(3)30-25(15-24(18)29)19(2)23(32(39)41-30)12-13-27(35)34-26(31(38)33-14-8-11-28(36)37)17-42-16-22-9-6-5-7-10-22/h5-7,9-10,15,26H,8,11-14,16-17H2,1-4H3,(H,33,38)(H,34,35)(H,36,37)/t26-/m0/s1
InChIKey
FZTBTFPFDZBTNY-SANMLTNESA-N
Synonyms
1014084-83-3
(R)4(3(benzylthio)2(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanamido)butanoicacid
1014084833
4(((2R)3benzylsulfanyl2(3(2359tetramethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoyl)amino)butanoicacid
4((SbenzylN(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Lcysteinyl)amino)butanoicacid
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CCC(=O)NC(CSCC4=CC=CC=C4)C(=O)NCCCC(=O)O)C)C
InChI=1SC32H36N2O7Sc11821(4)402920(3)3025(1524(18)29)19(2)23(32(39)4130)121327(35)3426(31(38)331481128(36)37)1742162296571022h579101526H811141617H214H3(H3338)(H3435)(H3637)t26m0s1
MFCD08284436
O=C(N(C@H)(C(=O)NCCCC(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
ZINC000097956994
ZINC97956994

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Available files

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