Vitas-M small molecule compound
2-(benzylsulfanyl)-5-chloro-N-[4-(diethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)pyrimidine-4-carboxamide
Catalog ID
STK909915
SMILES CCN(c1ccc(cc1)CN(C(=O)c1nc(ncc1Cl)SCc1ccccc1)C1CCS(=O)(=O)C1)CC
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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 C27H31ClN4O3S2 MW 559.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN4O3S2/c1-3-31(4-2)22-12-10-20(11-13-22)17-32(23-14-15-37(34,35)19-23)26(33)25-24(28)16-29-27(30-25)36-18-21-8-6-5-7-9-21/h5-13,16,23H,3-4,14-15,17-19H2,1-2H3InChIKey
NPJJKXUQWPUSMV-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5chloroN(4(diethylamino)benzyl)N(11dioxidotetrahydrothiophen3yl)pyrimidine4carboxamide
2benzylsulfanyl5chloroN((4(diethylamino)phenyl)methyl)N(11dioxothiolan3yl)pyrimidine4carboxamide
CCN(CC)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4
InChI=1SC27H31ClN4O3S2c1331(42)22121020(111322)1732(23141537(3435)1923)26(33)2524(28)162927(3025)3618218657921h5131623H3414151719H212H3
MFCD07425266
ZINC000098047993
ZINC000098047994
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