Vitas-M small molecule compound
propan-2-yl 2-{[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL400158
SMILES CC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1n(C)nc(c1[N+](=O)[O-])C)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 C18H22N4O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S/c1-9(2)27-18(24)13-11-7-5-6-8-12(11)28-17(13)19-16(23)15-14(22(25)26)10(3)20-21(15)4/h9H,5-8H2,1-4H3,(H,19,23)InChIKey
XNDRWUBJNPIIPY-UHFFFAOYSA-NSynonyms
492425-70-4492425704
CC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1n(C)nc(c1(N+)(=O)(O))C)C
CC1=NN(C(=C1(N+)(=O)(O))C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C
InChI=1SC18H22N4O5Sc19(2)2718(24)1311756812(11)2817(13)1916(23)1514(22(25)26)10(3)2021(15)4h9H58H214H3(H1923)
MFCD02604907
propan2yl2(((13dimethyl4nitro1Hpyrazol5yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((25dimethyl4nitropyrazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002727061
ZINC02727061
ZINC2727061
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