Vitas-M small molecule compound
N-(6-ethyl-4-oxo-2-sulfanylthieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK436132
SMILES CCc1sc2c(c1)c(=O)n(c(n2)S)NC(=O)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 C16H13N3O4S2 MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4S2/c1-2-9-6-10-14(25-9)17-16(24)19(15(10)21)18-13(20)8-3-4-11-12(5-8)23-7-22-11/h3-6H,2,7H2,1H3,(H,17,24)(H,18,20)InChIKey
SHGJUJYLMTZFTK-UHFFFAOYSA-NSynonyms
2HBENZO(34D)13DIOXOLAN5YLN(6ETHYL4OXO2SULFANYL(3HYDROTHIOPHENO(23D)PYRIMIDIN3YL))CARBOXAMIDE
CCC1=CC2=C(S1)NC(=S)N(C2=O)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC16H13N3O4S2c12961014(259)1716(24)19(15(10)21)1813(20)8341112(58)2372211h36H27H21H3(H1724)(H1820)
MFCD03944262
N(6ETHYL4OXO2SULFANYLIDENE1HTHIENO(23D)PYRIMIDIN3YL)13BENZODIOXOLE5CARBOXAMIDE
N(6ethyl4oxo2sulfanylthieno(23d)pyrimidin3(4H)yl)13benzodioxole5carboxamide
ZINC000017076778
ZINC17076778
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