Vitas-M small molecule compound

5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide

Catalog ID
STK909359
SMILES CCOc1ccc(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 C19H22ClN3O4S2 MW 455.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3O4S2/c1-3-27-15-6-4-13(5-7-15)11-23(14-8-9-29(25,26)12-14)18(24)17-16(20)10-21-19(22-17)28-2/h4-7,10,14H,3,8-9,11-12H2,1-2H3
InChIKey
IQFVFAAJLSTXIP-UHFFFAOYSA-N
Synonyms
880786-89-0
5chloroN(11dioxidotetrahydrothiophen3yl)N(4ethoxybenzyl)2(methylsulfanyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4ethoxyphenyl)methyl)2methylsulfanylpyrimidine4carboxamide
880786890
CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SC
InChI=1SC19H22ClN3O4S2c1327156413(5715)1123(148929(2526)1214)18(24)1716(20)102119(2217)282h471014H3891112H212H3
MFCD06648555
ZINC000008614288
ZINC000008614289

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Available files

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