Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK908429
SMILES CCc1ccc(cc1)CN(C(=O)c1nc(SC)ncc1Cl)C1CCS(=O)(=O)C1
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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 C19H22ClN3O3S2 MW 439.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3O3S2/c1-3-13-4-6-14(7-5-13)11-23(15-8-9-28(25,26)12-15)18(24)17-16(20)10-21-19(22-17)27-2/h4-7,10,15H,3,8-9,11-12H2,1-2H3InChIKey
ZKWRRLPWHQXBOW-UHFFFAOYSA-NSynonyms
880401-31-05chloroN(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)2(methylsulfanyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4ethylphenyl)methyl)2methylsulfanylpyrimidine4carboxamide
880401310
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SC
InChI=1SC19H22ClN3O3S2c13134614(7513)1123(158928(2526)1215)18(24)1716(20)102119(2217)272h471015H3891112H212H3
MFCD06647808
ZINC000008612040
ZINC000008612041
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