Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(propan-2-ylsulfanyl)-N-(4-propoxybenzyl)pyrimidine-4-carboxamide
Catalog ID
STK912136
SMILES CCCOc1ccc(cc1)CN(C(=O)c1nc(ncc1Cl)SC(C)C)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 C22H28ClN3O4S2 MW 498.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28ClN3O4S2/c1-4-10-30-18-7-5-16(6-8-18)13-26(17-9-11-32(28,29)14-17)21(27)20-19(23)12-24-22(25-20)31-15(2)3/h5-8,12,15,17H,4,9-11,13-14H2,1-3H3InChIKey
ZHJCVVNPJLYNSV-UHFFFAOYSA-NSynonyms
874192-08-25chloroN(11dioxidotetrahydrothiophen3yl)2(propan2ylsulfanyl)N(4propoxybenzyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)2propan2ylsulfanylN((4propoxyphenyl)methyl)pyrimidine4carboxamide
874192082
CCCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SC(C)C
InChI=1SC22H28ClN3O4S2c141030187516(6818)1326(1791132(2829)1417)21(27)2019(23)122422(2520)3115(2)3h58121517H49111314H213H3
MFCD07427055
ZINC000008613815
ZINC000008613816
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