Vitas-M small molecule compound
propan-2-yl 2-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK317520
SMILES CC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3)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 C26H32N4O5S MW 512.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O5S/c1-14(2)35-25(32)21-18-5-3-4-6-20(18)36-24(21)27-23(31)22-19(30(33)34)13-29(28-22)26-10-15-7-16(11-26)9-17(8-15)12-26/h13-17H,3-12H2,1-2H3,(H,27,31)InChIKey
LNWOWVIFBXHIAH-UHFFFAOYSA-NSynonyms
492456-30-1492456301
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3(N+)(=O)(O))C45CC6CC(C4)CC(C6)C5
CC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3)C
InChI=1SC26H32N4O5Sc114(2)3525(32)2118534620(18)3624(21)2723(31)2219(30(33)34)1329(2822)261015716(1126)917(815)1226h1317H312H212H3(H2731)
MFCD02243933
propan2yl2(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((1(1adamantyl)4nitropyrazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000008454502
ZINC08454502
ZINC8454502
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