Vitas-M small molecule compound
4-[(3E)-5-bromo-3-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]butanoic acid
Catalog ID
STL367493
SMILES OC(=O)CCCN1c2ccc(cc2/C(=C/2\SC(=S)N(C2=O)C)/C1=O)Br
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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 C16H13BrN2O4S2 MW 441.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN2O4S2/c1-18-15(23)13(25-16(18)24)12-9-7-8(17)4-5-10(9)19(14(12)22)6-2-3-11(20)21/h4-5,7H,2-3,6H2,1H3,(H,20,21)/b13-12+InChIKey
QMZIKRHHVMNNDU-OUKQBFOZSA-NSynonyms
4((3E)5bromo3(3methyl4oxo2sulfanylidene13thiazolidin5ylidene)2oxoindol1yl)butanoicacid
4((3E)5bromo3(3methyl4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)butanoicacid
CN1C(=O)C(=C2C3=C(C=CC(=C3)Br)N(C2=O)CCCC(=O)O)SC1=S
InChI=1SC16H13BrN2O4S2c11815(23)13(2516(18)24)12978(17)4510(9)19(14(12)22)62311(20)21h457H236H21H3(H2021)b1312+
MFCD28951827
OC(=O)CCCN1c2ccc(cc2C(=C2SC(=S)N(C2=O)C)C1=O)Br
ZINC000098086297
ZINC98086297
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