Vitas-M small molecule compound
propan-2-yl 2-({[5-(1-methyl-4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK314893
SMILES CC(OC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3)c2nn(cc2[N+](=O)[O-])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 C23H23N7O5S MW 509.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N7O5S/c1-12(2)35-23(32)19-13-6-4-5-7-17(13)36-22(19)25-21(31)15-10-18-24-14(8-9-29(18)26-15)20-16(30(33)34)11-28(3)27-20/h8-12H,4-7H2,1-3H3,(H,25,31)InChIKey
AWJDDPAQRYKYRF-UHFFFAOYSA-NSynonyms
1005663-35-31005663353
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C=CC(=NC4=C3)C5=NN(C=C5(N+)(=O)(O))C
CC(OC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3)c2nn(cc2(N+)(=O)(O))C)sc2c1CCCC2)C
InChI=1SC23H23N7O5Sc112(2)3523(32)1913645717(13)3622(19)2521(31)1510182414(8929(18)2615)2016(30(33)34)1128(3)2720h812H47H213H3(H2531)
MFCD08553576
propan2yl2(((5(1methyl4nitro1Hpyrazol3yl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((5(1methyl4nitropyrazol3yl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000013961197
ZINC13961197
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