Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-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
STK302912
SMILES CC(OC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)c2nn(cc2Cl)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 C25H27ClN6O4S2 MW 575.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN6O4S2/c1-14(2)36-24(34)20-16-8-4-5-9-18(16)38-23(20)27-19(33)13-37-25-29-28-22(21-17(26)12-31(3)30-21)32(25)11-15-7-6-10-35-15/h6-7,10,12,14H,4-5,8-9,11,13H2,1-3H3,(H,27,33)InChIKey
HJLRYEIPRKUOIG-UHFFFAOYSA-NSynonyms
1005671-03-31005671033
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=NN(C=C5Cl)C
InChI=1SC25H27ClN6O4S2c114(2)3624(34)2016845918(16)3823(20)2719(33)133725292822(2117(26)1231(3)3021)32(25)111576103515h67101214H45891113H213H3(H2733)
MFCD04048669
propan2yl2((((5(4chloro1methyl1Hpyrazol3yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro1methylpyrazol3yl)4(furan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002747988
ZINC2747988
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