Vitas-M small molecule compound
[(5E)-5-(3-methoxy-4-{[(3-methylphenyl)carbonyl]oxy}benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL427601
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)C)/C=C\1/SC(=S)N(C1=O)CC(=O)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 C21H17NO6S2 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO6S2/c1-12-4-3-5-14(8-12)20(26)28-15-7-6-13(9-16(15)27-2)10-17-19(25)22(11-18(23)24)21(29)30-17/h3-10H,11H2,1-2H3,(H,23,24)/b17-10+InChIKey
KHEXIUXNYWWIGS-LICLKQGHSA-NSynonyms
((5E)5(3methoxy4(((3methylphenyl)carbonyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((3METHOXY4(3METHYLBENZOYL)OXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)OC
COc1cc(ccc1OC(=O)c1cccc(c1)C)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC21H17NO6S2c11243514(812)20(26)28157613(916(15)272)101719(25)22(1118(23)24)21(29)3017h310H11H212H3(H2324)b1710+
MFCD01536029
ZINC000002025936
ZINC2025936
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