Vitas-M small molecule compound
5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK912212
SMILES C=CCSc1ncc(c(n1)C(=O)Nc1sc2c(c1C(=O)NCC)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 C19H21ClN4O2S2 MW 436.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN4O2S2/c1-3-9-27-19-22-10-12(20)15(23-19)17(26)24-18-14(16(25)21-4-2)11-7-5-6-8-13(11)28-18/h3,10H,1,4-9H2,2H3,(H,21,25)(H,24,26)InChIKey
PKAIWLDENCKAGV-UHFFFAOYSA-NSynonyms
5chloroN(3(ethylcarbamoyl)4567tetrahydro1benzothiophen2yl)2(prop2en1ylsulfanyl)pyrimidine4carboxamide
5chloroN(3(ethylcarbamoyl)4567tetrahydro1benzothiophen2yl)2prop2enylsulfanylpyrimidine4carboxamide
CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SCC=C
InChI=1SC19H21ClN4O2S2c1392719221012(20)15(2319)17(26)241814(16(25)2142)11756813(11)2818h310H149H22H3(H2125)(H2426)
MFCD07427146
ZINC000008916835
ZINC08916835
ZINC8916835
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