Vitas-M small molecule compound
{(3Z)-5-bromo-3-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
Catalog ID
STK703005
SMILES OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)C2CCS(=O)(=O)C2)/c2c1ccc(c2)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 C17H13BrN2O6S3 MW 517.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN2O6S3/c18-8-1-2-11-10(5-8)13(15(23)19(11)6-12(21)22)14-16(24)20(17(27)28-14)9-3-4-29(25,26)7-9/h1-2,5,9H,3-4,6-7H2,(H,21,22)/b14-13-InChIKey
IVBGIFXMUDNZGX-YPKPFQOOSA-NSynonyms
((3Z)5bromo3(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)aceticacid
(Z)2(5bromo3(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxothiazolidin5ylidene)2oxoindolin1yl)aceticacid
2((3Z)5BROMO3(3(11DIOXOTHIOLAN3YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETICACID
C1CS(=O)(=O)CC1N2C(=O)C(=C3C4=C(C=CC(=C4)Br)N(C3=O)CC(=O)O)SC2=S
InChI=1SC17H13BrN2O6S3c188121110(58)13(15(23)19(11)612(21)22)1416(24)20(17(27)2814)93429(2526)79h1259H3467H2(H2122)b1413
MFCD02987906
OC(=O)CN1C(=O)C(=C2SC(=S)N(C2=O)C2CCS(=O)(=O)C2)c2c1ccc(c2)Br
ZINC000096021945
ZINC000096021946
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