Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302867
SMILES Cc1ccc(cc1)n1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1n(C)nc(c1Cl)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 C28H31ClN6O3S2 MW 599.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN6O3S2/c1-15(2)38-27(37)22-19-8-6-7-9-20(19)40-26(22)30-21(36)14-39-28-32-31-25(24-23(29)17(4)33-34(24)5)35(28)18-12-10-16(3)11-13-18/h10-13,15H,6-9,14H2,1-5H3,(H,30,36)InChIKey
NDGCURMXRAUHBR-UHFFFAOYSA-NSynonyms
1005695-33-91005695339
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=C(C(=NN5C)C)Cl
InChI=1SC28H31ClN6O3S2c115(2)3827(37)2219867920(19)4026(22)3021(36)143928323125(2423(29)17(4)3334(24)5)35(28)18121016(3)111318h101315H6914H215H3(H3036)
MFCD04049032
propan2yl2((((5(4chloro13dimethyl1Hpyrazol5yl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro25dimethylpyrazol3yl)4(4methylphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002747781
ZINC2747781
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