Vitas-M small molecule compound
4-({S-benzyl-N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-cysteinyl}amino)butanoic acid
Catalog ID
STK576856
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)N[C@H](C(=O)NCCCC(=O)O)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 C31H34N2O7S MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7S/c1-17-20(4)39-28-19(3)29-23(13-22(17)28)18(2)24(31(38)40-29)14-26(34)33-25(30(37)32-12-8-11-27(35)36)16-41-15-21-9-6-5-7-10-21/h5-7,9-10,13,25H,8,11-12,14-16H2,1-4H3,(H,32,37)(H,33,34)(H,35,36)/t25-/m0/s1InChIKey
PXFOIVUNMXYXCK-VWLOTQADSA-NSynonyms
1013755-02-6(R)4(3(benzylthio)2(2(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanamido)butanoicacid
1013755026
4(((2R)3benzylsulfanyl2((2(2359tetramethyl7oxofuro(32g)chromen6yl)acetyl)amino)propanoyl)amino)butanoicacid
4((SbenzylN((2359tetramethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Lcysteinyl)amino)butanoicacid
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CC(=O)NC(CSCC4=CC=CC=C4)C(=O)NCCCC(=O)O)C)C
InChI=1SC31H34N2O7Sc11720(4)392819(3)2923(1322(17)28)18(2)24(31(38)4029)1426(34)3325(30(37)321281127(35)36)1641152196571021h579101325H811121416H214H3(H3237)(H3334)(H3536)t25m0s1
MFCD08284486
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)N(C@H)(C(=O)NCCCC(=O)O)CSCc1ccccc1
ZINC000097957059
ZINC97957059
Check stock
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Check stock on Vitas-MAvailable files
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