Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302829
SMILES CC(OC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)c2n(C)nc(c2Cl)C)sc2c1CCCC2)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 C26H29ClN6O4S2 MW 589.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN6O4S2/c1-14(2)37-25(35)20-17-9-5-6-10-18(17)39-24(20)28-19(34)13-38-26-30-29-23(22-21(27)15(3)31-32(22)4)33(26)12-16-8-7-11-36-16/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,28,34)InChIKey
DNKHUTPEPSHLIS-UHFFFAOYSA-NSynonyms
1005556-90-01005556900
CC1=NN(C(=C1Cl)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C)C
InChI=1SC26H29ClN6O4S2c114(2)3725(35)20179561018(17)3924(20)2819(34)133826302923(2221(27)15(3)3132(22)4)33(26)121687113616h781114H569101213H214H3(H2834)
MFCD04048996
propan2yl2((((5(4chloro13dimethyl1Hpyrazol5yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro25dimethylpyrazol3yl)4(furan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002743735
ZINC2743735
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