Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL140814
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C19H17N3O4S2 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O4S2/c23-15(20-10-5-6-12-13(7-10)26-9-25-12)8-27-19-21-17(24)16-11-3-1-2-4-14(11)28-18(16)22-19/h5-7H,1-4,8-9H2,(H,20,23)(H,21,22,24)InChIKey
CAMWBRWJGIHFHW-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC19H17N3O4S2c2315(2010561213(710)2692512)827192117(24)1611312414(11)2818(16)2219h57H1489H2(H2023)(H212224)
MFCD03858333
N(13benzodioxol5yl)2((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1ccc2c(c1)OCO2)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
ZINC000001368009
ZINC01368009
ZINC1368009
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