Vitas-M small molecule compound
N-(5-fluoro-2-methylphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL122277
SMILES O=C(Nc1cc(F)ccc1C)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 C19H18FN3O2S2 MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FN3O2S2/c1-10-6-7-11(20)8-13(10)21-15(24)9-26-19-22-17(25)16-12-4-2-3-5-14(12)27-18(16)23-19/h6-8H,2-5,9H2,1H3,(H,21,24)(H,22,23,25)InChIKey
KXQAOPFJMDMHAK-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)F)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
InChI=1SC19H18FN3O2S2c1106711(20)813(10)2115(24)926192217(25)1612423514(12)2718(16)2319h68H259H21H3(H2124)(H222325)
MFCD08167474
N(5fluoro2methylphenyl)2((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(5fluoro2methylphenyl)2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1cc(F)ccc1C)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
ZINC000048513883
ZINC48513883
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