Vitas-M small molecule compound
3-{[(2Z)-4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2(3H)-ylidene]carbamoyl}pyrazine-2-carboxylic acid
Catalog ID
STL251837
SMILES O=C(c1nccnc1C(=O)O)/N=c/1\scc([nH]1)c1ccc2c(c1)OCO2
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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 C16H10N4O5S MW 370.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N4O5S/c21-14(12-13(15(22)23)18-4-3-17-12)20-16-19-9(6-26-16)8-1-2-10-11(5-8)25-7-24-10/h1-6H,7H2,(H,22,23)(H,19,20,21)InChIKey
NCHXLYXNQHGKPF-UHFFFAOYSA-NSynonyms
1374532-10-11374532101
3(((2Z)4(13benzodioxol5yl)13thiazol2(3H)ylidene)carbamoyl)pyrazine2carboxylicacid
3((4(13benzodioxol5yl)13thiazol2yl)carbamoyl)pyrazine2carboxylicacid
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=NC=CN=C4C(=O)O
InChI=1SC16H10N4O5Sc2114(1213(15(22)23)18431712)2016199(62616)8121011(58)2572410h16H7H2(H2223)(H192021)
MFCD24852765
O=C(c1nccnc1C(=O)O)N=c1scc((nH)1)c1ccc2c(c1)OCO2
ZINC000072404421
ZINC72404421
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