Vitas-M small molecule compound
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide
Catalog ID
STK911367
SMILES Fc1ccc(cc1)CSc1ncc(c(n1)C(=O)Nc1sc2c(c1C(=O)N)CCCC2)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 C21H18ClFN4O2S2 MW 476.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN4O2S2/c22-14-9-25-21(30-10-11-5-7-12(23)8-6-11)26-17(14)19(29)27-20-16(18(24)28)13-3-1-2-4-15(13)31-20/h5-9H,1-4,10H2,(H2,24,28)(H,27,29)InChIKey
XLDOLBOWWZTKRN-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F)C(=O)N
InChI=1SC21H18ClFN4O2S2c221492521(3010115712(23)8611)2617(14)19(29)272016(18(24)28)13312415(13)3120h59H1410H2(H22428)(H2729)
MFCD07426270
N(3carbamoyl4567tetrahydro1benzothiophen2yl)5chloro2((4fluorobenzyl)sulfanyl)pyrimidine4carboxamide
N(3carbamoyl4567tetrahydro1benzothiophen2yl)5chloro2((4fluorophenyl)methylsulfanyl)pyrimidine4carboxamide
ZINC000008915614
ZINC08915614
ZINC8915614
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