Vitas-M small molecule compound
2-(benzylsulfonyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloropyrimidine-4-carboxamide
Catalog ID
STK912632
SMILES Clc1cnc(nc1C(=O)Nc1sc2c(c1C(=O)N)CCCC2)S(=O)(=O)Cc1ccccc1
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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 C21H19ClN4O4S2 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O4S2/c22-14-10-24-21(32(29,30)11-12-6-2-1-3-7-12)25-17(14)19(28)26-20-16(18(23)27)13-8-4-5-9-15(13)31-20/h1-3,6-7,10H,4-5,8-9,11H2,(H2,23,27)(H,26,28)InChIKey
CMEXPMDYIGUNSR-UHFFFAOYSA-NSynonyms
2(benzylsulfonyl)N(3carbamoyl4567tetrahydro1benzothiophen2yl)5chloropyrimidine4carboxamide
2benzylsulfonylN(3carbamoyl4567tetrahydro1benzothiophen2yl)5chloropyrimidine4carboxamide
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4)C(=O)N
InChI=1SC21H19ClN4O4S2c2214102421(32(2930)11126213712)2517(14)19(28)262016(18(23)27)13845915(13)3120h136710H458911H2(H22327)(H2628)
MFCD07427586
ZINC000008917175
ZINC08917175
ZINC8917175
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