Vitas-M small molecule compound
methyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK303010
SMILES CCCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)nnc1c1nn(cc1Cl)C
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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 C22H27ClN6O3S2 MW 523.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN6O3S2/c1-4-5-10-29-19(18-14(23)11-28(2)27-18)25-26-22(29)33-12-16(30)24-20-17(21(31)32-3)13-8-6-7-9-15(13)34-20/h11H,4-10,12H2,1-3H3,(H,24,30)InChIKey
KBDFMTKYEBIMSN-UHFFFAOYSA-NSynonyms
1005558-76-81005558768
CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4=NN(C=C4Cl)C
InChI=1SC22H27ClN6O3S2c145102919(1814(23)1128(2)2718)252622(29)331216(30)242017(21(31)323)13867915(13)3420h11H41012H213H3(H2430)
methyl2((((4butyl5(4chloro1methyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((4butyl5(4chloro1methylpyrazol3yl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048702
ZINC000002758669
ZINC02758669
ZINC2758669
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