Vitas-M small molecule compound
propan-2-yl 2-[({[5-(1,5-dimethyl-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
STK302963
SMILES CC(OC(=O)c1c(NC(=O)CSc2nnc(n2Cc2ccco2)c2nn(c(c2)C)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 C26H30N6O4S2 MW 554.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O4S2/c1-15(2)36-25(34)22-18-9-5-6-10-20(18)38-24(22)27-21(33)14-37-26-29-28-23(19-12-16(3)31(4)30-19)32(26)13-17-8-7-11-35-17/h7-8,11-12,15H,5-6,9-10,13-14H2,1-4H3,(H,27,33)InChIKey
OWWULBGOWVJERD-UHFFFAOYSA-NSynonyms
1005617-57-11005617571
CC1=CC(=NN1C)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C
InChI=1SC26H30N6O4S2c115(2)3625(34)22189561020(18)3824(22)2721(33)143726292823(191216(3)31(4)3019)32(26)131787113517h78111215H569101314H214H3(H2733)
MFCD04049031
propan2yl2((((5(15dimethyl1Hpyrazol3yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(15dimethylpyrazol3yl)4(furan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000097948143
ZINC97948143
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