Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL073357
SMILES COc1ccccc1Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)scc2
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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 C23H19N3O5S2 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S2/c1-29-17-5-3-2-4-14(17)11-26-22(28)21-16(8-9-32-21)25-23(26)33-12-20(27)24-15-6-7-18-19(10-15)31-13-30-18/h2-10H,11-13H2,1H3,(H,24,27)InChIKey
BHKZQDHBUOKJIN-UHFFFAOYSA-NSynonyms
COC1=CC=CC=C1CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC23H19N3O5S2c12917532414(17)112622(28)2116(893221)2523(26)331220(27)2415671819(1015)31133018h210H1113H21H3(H2427)
MFCD18194887
N(13benzodioxol5yl)2((3(2methoxybenzyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2(3((2methoxyphenyl)methyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
ZINC000067205291
ZINC67205291
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