Vitas-M small molecule compound
5-chloro-N-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)-2-[(3-methylbenzyl)sulfanyl]pyrimidine-4-carboxamide
Catalog ID
STK912897
SMILES N#CC1=C(SC2C1CCCC2)NC(=O)c1nc(SCc2cccc(c2)C)ncc1Cl
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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 C22H21ClN4OS2 MW 457.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4OS2/c1-13-5-4-6-14(9-13)12-29-22-25-11-17(23)19(26-22)20(28)27-21-16(10-24)15-7-2-3-8-18(15)30-21/h4-6,9,11,15,18H,2-3,7-8,12H2,1H3,(H,27,28)InChIKey
PFTRUSFYMKRDOL-UHFFFAOYSA-NSynonyms
5chloroN(3cyano3a45677ahexahydro1benzothiophen2yl)2((3methylbenzyl)sulfanyl)pyrimidine4carboxamide
5chloroN(3cyano3a45677ahexahydro1benzothiophen2yl)2((3methylphenyl)methylsulfanyl)pyrimidine4carboxamide
CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C4CCCCC4S3)C#N)Cl
InChI=1SC22H21ClN4OS2c11354614(913)122922251117(23)19(2622)20(28)272116(1024)15723818(15)3021h469111518H237812H21H3(H2728)
MFCD07427848
ZINC000008917363
ZINC000008917366
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