Vitas-M small molecule compound
dimethyl 3-methyl-5-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STL403418
SMILES COC(=O)c1c(NC(=O)c2nn(cc2[N+](=O)[O-])C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)OC
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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 C23H26N4O7S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O7S/c1-11-16(21(29)33-2)20(35-18(11)22(30)34-3)24-19(28)17-15(27(31)32)10-26(25-17)23-7-12-4-13(8-23)6-14(5-12)9-23/h10,12-14H,4-9H2,1-3H3,(H,24,28)InChIKey
JKJSPUMATKPRPB-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4)C(=O)OC
COC(=O)c1c(NC(=O)c2nn(cc2(N+)(=O)(O))C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)OC
dimethyl3methyl5(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)thiophene24dicarboxylate
DIMETHYL5(((1(1ADAMANTYL)4NITRO1HPYRAZOL3YL)CARBONYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
DIMETHYL5((1(1ADAMANTYL)4NITROPYRAZOLE3CARBONYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC23H26N4O7Sc11116(21(29)332)20(3518(11)22(30)343)2419(28)1715(27(31)32)1026(2517)23712413(823)614(512)923h101214H49H213H3(H2428)
ZINC000008454397
ZINC08454397
ZINC8454397
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