Vitas-M small molecule compound
N-(2,4-dimethoxyphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL122397
SMILES COc1ccc(c(c1)OC)NC(=O)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 C20H21N3O4S2 MW 431.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S2/c1-26-11-7-8-13(14(9-11)27-2)21-16(24)10-28-20-22-18(25)17-12-5-3-4-6-15(12)29-19(17)23-20/h7-9H,3-6,10H2,1-2H3,(H,21,24)(H,22,23,25)InChIKey
TUEHBZDTAXUKRS-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC
COc1ccc(c(c1)OC)NC(=O)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC20H21N3O4S2c126117813(14(911)272)2116(24)1028202218(25)1712534615(12)2919(17)2320h79H3610H212H3(H2124)(H222325)
MFCD02587972
N(24dimethoxyphenyl)2((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(24dimethoxyphenyl)2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000000886889
ZINC00886889
ZINC886889
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