Vitas-M small molecule compound
(2E)-4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK409612
SMILES O=C(Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)/C=C/C(=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 C12H10N2O5S2 MW 326.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N2O5S2/c1-21(18,19)7-2-3-8-9(6-7)20-12(13-8)14-10(15)4-5-11(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15)/b5-4+InChIKey
JKNOCBGCVXNOQB-SNAWJCMRSA-NSynonyms
(2E)3(N(6(METHYLSULFONYL)BENZOTHIAZOL2YL)CARBAMOYL)PROP2ENOICACID
(2E)4((6(methylsulfonyl)13benzothiazol2yl)amino)4oxobut2enoicacid
(E)4((6METHYLSULFONYL13BENZOTHIAZOL2YL)AMINO)4OXOBUT2ENOICACID
CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC(=O)O
InChI=1SC12H10N2O5S2c121(1819)72389(67)2012(138)1410(15)4511(16)17h26H1H3(H1617)(H131415)b54+
MFCD01116271
O=C(Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)C=CC(=O)O
ZINC000002748072
ZINC2748072
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