Vitas-M small molecule compound
4-({S-benzyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-cysteinyl}amino)butanoic acid
Catalog ID
STK584230
SMILES O=C(N[C@@H](C(=O)NCCCC(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)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 C31H34N2O7S MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7S/c1-18-20(3)39-26-15-27-24(14-23(18)26)19(2)22(31(38)40-27)11-12-28(34)33-25(30(37)32-13-7-10-29(35)36)17-41-16-21-8-5-4-6-9-21/h4-6,8-9,14-15,25H,7,10-13,16-17H2,1-3H3,(H,32,37)(H,33,34)(H,35,36)/t25-/m1/s1InChIKey
YRSMFQZXCPIWBK-RUZDIDTESA-NSynonyms
1014020-95-1(S)4(3(benzylthio)2(3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanamido)butanoicacid
1014020951
4(((2S)3benzylsulfanyl2(3(235trimethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoyl)amino)butanoicacid
4((SbenzylN(3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Dcysteinyl)amino)butanoicacid
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CCC(=O)NC(CSCC4=CC=CC=C4)C(=O)NCCCC(=O)O)C)C
InChI=1SC31H34N2O7Sc11820(3)3926152724(1423(18)26)19(2)22(31(38)4027)111228(34)3325(30(37)321371029(35)36)174116218546921h4689141525H710131617H213H3(H3237)(H3334)(H3536)t25m1s1
MFCD08284490
O=C(N(C@@H)(C(=O)NCCCC(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
ZINC000097957067
ZINC97957067
Check stock
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Check stock on Vitas-MAvailable files
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