Vitas-M small molecule compound
S-benzyl-N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-cysteinyl-beta-alanine
Catalog ID
STK576263
SMILES O=C(N[C@H](C(=O)NCCC(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
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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 C30H32N2O7S MW 564.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O7S/c1-17-14-38-27-19(3)28-23(13-22(17)27)18(2)21(30(37)39-28)9-10-25(33)32-24(29(36)31-12-11-26(34)35)16-40-15-20-7-5-4-6-8-20/h4-8,13-14,24H,9-12,15-16H2,1-3H3,(H,31,36)(H,32,33)(H,34,35)/t24-/m0/s1InChIKey
JKEHPIYYWCFLAH-DEOSSOPVSA-NSynonyms
1014023-48-3(R)3(3(benzylthio)2(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanamido)propanoicacid
1014023483
3(((2R)3benzylsulfanyl2(3(359trimethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoyl)amino)propanoicacid
CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CSCC4=CC=CC=C4)C(=O)NCCC(=O)O)C)C
InChI=1SC30H32N2O7Sc11714382719(3)2823(1322(17)27)18(2)21(30(37)3928)91025(33)3224(29(36)31121126(34)35)164015207546820h48131424H9121516H213H3(H3136)(H3233)(H3435)t24m0s1
MFCD08284458
O=C(N(C@H)(C(=O)NCCC(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
SbenzylN(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Lcysteinylbetaalanine
ZINC000097957024
ZINC97957024
Check stock
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Check stock on Vitas-MAvailable files
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