Vitas-M small molecule compound
{[3-(4-methoxybenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Catalog ID
STL166925
SMILES N#CCSc1nc2ccsc2c(=O)n1Cc1ccc(cc1)OC
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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 C16H13N3O2S2 MW 343.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2S2/c1-21-12-4-2-11(3-5-12)10-19-15(20)14-13(6-8-22-14)18-16(19)23-9-7-17/h2-6,8H,9-10H2,1H3InChIKey
VYOPVNGKOYVDLO-UHFFFAOYSA-NSynonyms
((3(4methoxybenzyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetonitrile
2(3((4METHOXYPHENYL)METHYL)4OXOTHIENO(32D)PYRIMIDIN2YL)SULFANYLACETONITRILE
COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC#N
InChI=1SC16H13N3O2S2c121124211(3512)101915(20)1413(682214)1816(19)239717h268H910H21H3
MFCD03018492
ZINC000002908640
ZINC2908640
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