Vitas-M small molecule compound
4-({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK722924
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)C#N)nc2c(c1=O)c1CCCCc1s2
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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 C25H21N3O2S2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O2S2/c1-30-19-12-10-18(11-13-19)28-24(29)22-20-4-2-3-5-21(20)32-23(22)27-25(28)31-15-17-8-6-16(14-26)7-9-17/h6-13H,2-5,15H2,1H3InChIKey
WULGZCZHHYBWMR-UHFFFAOYSA-NSynonyms
477329-31-04(((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzonitrile
4(((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)benzonitrile
4((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)benzonitrile
477329310
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)C#N)SC5=C3CCCC5
InChI=1SC25H21N3O2S2c13019121018(111319)2824(29)2220423521(20)3223(22)2725(28)3115178616(1426)7917h613H2515H21H3
MFCD03473787
ZINC000001771351
ZINC01771351
ZINC1771351
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