Vitas-M small molecule compound
N-(4-tert-butylbenzyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK909109
SMILES CCSc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C)Cl
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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 C22H28ClN3O3S2 MW 482.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28ClN3O3S2/c1-5-30-21-24-12-18(23)19(25-21)20(27)26(17-10-11-31(28,29)14-17)13-15-6-8-16(9-7-15)22(2,3)4/h6-9,12,17H,5,10-11,13-14H2,1-4H3InChIKey
WBFDNGZJVYBCCW-UHFFFAOYSA-NSynonyms
880783-89-1880783891
CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C3CCS(=O)(=O)C3)Cl
InChI=1SC22H28ClN3O3S2c153021241218(23)19(2521)20(27)26(17101131(2829)1417)13156816(9715)22(23)4h691217H510111314H214H3
MFCD06648360
N((4tertbutylphenyl)methyl)5chloroN(11dioxothiolan3yl)2ethylsulfanylpyrimidine4carboxamide
N(4tertbutylbenzyl)5chloroN(11dioxidotetrahydrothiophen3yl)2(ethylsulfanyl)pyrimidine4carboxamide
ZINC000008612090
ZINC000008612091
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