Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305104
SMILES CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)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/c1-5-29-19(18-14(23)10-28(4)27-18)25-26-22(29)33-11-16(30)24-20-17(21(31)32-12(2)3)13-8-6-7-9-15(13)34-20/h10,12H,5-9,11H2,1-4H3,(H,24,30)InChIKey
XBGPNXYOFRYXSS-UHFFFAOYSA-NSynonyms
1005575-81-41005575814
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C4=NN(C=C4Cl)C
InChI=1SC22H27ClN6O3S2c152919(1814(23)1028(4)2718)252622(29)331116(30)242017(21(31)3212(2)3)13867915(13)3420h1012H5911H214H3(H2430)
MFCD04049147
propan2yl2((((5(4chloro1methyl1Hpyrazol3yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro1methylpyrazol3yl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002784388
ZINC02784388
ZINC2784388
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