Vitas-M small molecule compound
3-({6-[(5E)-5-(3-{6-[(3-carboxyphenyl)amino]-6-oxohexyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoic acid
Catalog ID
STK526383
SMILES O=C(Nc1cccc(c1)C(=O)O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)Nc2cccc(c2)C(=O)O)/C1=O
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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 C32H32N4O8S4 MW 728.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O8S4/c37-23(33-21-11-7-9-19(17-21)29(41)42)13-3-1-5-15-35-27(39)25(47-31(35)45)26-28(40)36(32(46)48-26)16-6-2-4-14-24(38)34-22-12-8-10-20(18-22)30(43)44/h7-12,17-18H,1-6,13-16H2,(H,33,37)(H,34,38)(H,41,42)(H,43,44)/b26-25+InChIKey
SESMTBSXIRXFSB-OCEACIFDSA-NSynonyms
(E)33((66(44dioxo22dithioxo2H2H(55bithiazolylidene)33(4H4H)diyl)bis(hexanoyl))bis(azanediyl))dibenzoicacid
3((6((5E)5(3(6((3carboxyphenyl)amino)6oxohexyl)4oxo2thioxo13thiazolidin5ylidene)4oxo2thioxo13thiazolidin3yl)hexanoyl)amino)benzoicacid
3(6((5E)5(3(6(3CARBOXYANILINO)6OXOHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOYLAMINO)BENZOICACID
C1=CC(=CC(=C1)NC(=O)CCCCCN2C(=O)C(=C3C(=O)N(C(=S)S3)CCCCCC(=O)NC4=CC=CC(=C4)C(=O)O)SC2=S)C(=O)O
InChI=1SC32H32N4O8S4c3723(3321117919(1721)29(41)42)13315153527(39)25(4731(35)45)2628(40)36(32(46)4826)166241424(38)34221281020(1822)30(43)44h7121718H161316H2(H3337)(H3438)(H4142)(H4344)b2625+
MFCD00304395
O=C(Nc1cccc(c1)C(=O)O)CCCCCN1C(=S)SC(=C2SC(=S)N(C2=O)CCCCCC(=O)Nc2cccc(c2)C(=O)O)C1=O
ZINC000150406698
ZINC150406698
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