Vitas-M small molecule compound
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide
Catalog ID
STK909953
SMILES N#Cc1c(NC(=O)c2nc(SCc3ccc(cc3)F)ncc2Cl)sc2c1CCCC2
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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 C21H16ClFN4OS2 MW 458.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN4OS2/c22-16-10-25-21(29-11-12-5-7-13(23)8-6-12)26-18(16)19(28)27-20-15(9-24)14-3-1-2-4-17(14)30-20/h5-8,10H,1-4,11H2,(H,27,28)InChIKey
DQTVFPXSWPEYHG-UHFFFAOYSA-NSynonyms
5chloroN(3cyano4567tetrahydro1benzothiophen2yl)2((4fluorobenzyl)sulfanyl)pyrimidine4carboxamide
5chloroN(3cyano4567tetrahydro1benzothiophen2yl)2((4fluorophenyl)methylsulfanyl)pyrimidine4carboxamide
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F)C#N
InChI=1SC21H16ClFN4OS2c2216102521(2911125713(23)8612)2618(16)19(28)272015(924)14312417(14)3020h5810H1411H2(H2728)
MFCD06649073
ZINC000008868340
ZINC08868340
ZINC8868340
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