Vitas-M small molecule compound
3-chloro-N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]-6-nitro-1-benzothiophene-2-carboxamide
Catalog ID
STK462820
SMILES O=C(c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Nc1ccn(n1)Cc1ccccc1C
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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 C20H15ClN4O3S MW 426.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O3S/c1-12-4-2-3-5-13(12)11-24-9-8-17(23-24)22-20(26)19-18(21)15-7-6-14(25(27)28)10-16(15)29-19/h2-10H,11H2,1H3,(H,22,23,26)InChIKey
ZZJAAISTJOJLSP-UHFFFAOYSA-NSynonyms
(3CHLORO6NITROBENZO(B)THIOPHEN2YL)N(1((2METHYLPHENYL)METHYL)PYRAZOL3YL)CARBOXAMIDE
3CHLORON(1((2METHYLPHENYL)METHYL)PYRAZOL3YL)6NITRO1BENZOTHIOPHENE2CARBOXAMIDE
3chloroN(1(2methylbenzyl)1Hpyrazol3yl)6nitro1benzothiophene2carboxamide
CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC20H15ClN4O3Sc112423513(12)11249817(2324)2220(26)1918(21)157614(25(27)28)1016(15)2919h210H11H21H3(H222326)
MFCD06004902
O=C(c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))Nc1ccn(n1)Cc1ccccc1C
ZINC000001055435
ZINC01055435
ZINC1055435
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