Vitas-M small molecule compound
2-(benzylsulfanyl)-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide
Catalog ID
STK909899
SMILES COc1cc(CCNC(=O)c2nc(ncc2Cl)SCc2ccccc2)ccc1OC
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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 C22H22ClN3O3S MW 443.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3S/c1-28-18-9-8-15(12-19(18)29-2)10-11-24-21(27)20-17(23)13-25-22(26-20)30-14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,27)InChIKey
WFPLRAYSJRGJKW-UHFFFAOYSA-NSynonyms
835897-53-52(benzylsulfanyl)5chloroN(2(34dimethoxyphenyl)ethyl)pyrimidine4carboxamide
2BENZYLSULFANYL5CHLORON(2(34DIMETHOXYPHENYL)ETHYL)PYRIMIDINE4CARBOXAMIDE
835897535
COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3)OC
InChI=1SC22H22ClN3O3Sc128189815(1219(18)292)10112421(27)2017(23)132522(2620)3014166435716h391213H101114H212H3(H2427)
MFCD06630766
ZINC000008868247
ZINC08868247
ZINC8868247
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