Vitas-M small molecule compound
3-(4-methoxybenzyl)-2-thioxo-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Catalog ID
STL135299
SMILES COc1ccc(cc1)Cn1c(=S)[nH]c2c(c1=O)sc1c2cccn1
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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 C17H13N3O2S2 MW 355.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O2S2/c1-22-11-6-4-10(5-7-11)9-20-16(21)14-13(19-17(20)23)12-3-2-8-18-15(12)24-14/h2-8H,9H2,1H3,(H,19,23)InChIKey
KPWZRWSIEGXQFQ-UHFFFAOYSA-NSynonyms
1019151-39-31019151393
3((4methoxyphenyl)methyl)2sulfanylidene1Hpyrido(23)thieno(24b)pyrimidin4one
3(4methoxybenzyl)2thioxo23dihydropyrido(3245)thieno(32d)pyrimidin4(1H)one
COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)N=CC=C4)NC2=S
COc1ccc(cc1)Cn1c(=S)(nH)c2c(c1=O)sc1c2cccn1
InChI=1SC17H13N3O2S2c122116410(5711)92016(21)1413(1917(20)23)123281815(12)2414h28H9H21H3(H1923)
MFCD14728549
ZINC000100020964
ZINC100020964
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