Vitas-M small molecule compound
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(4-methyl-3-nitrophenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK959541
SMILES Clc1ncn(n1)C12CC3CC(C1)CC(C2)(C3)C(=O)Nc1ccc(c(c1)[N+](=O)[O-])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 C20H22ClN5O3 MW 415.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN5O3/c1-12-2-3-15(5-16(12)26(28)29)23-17(27)19-6-13-4-14(7-19)9-20(8-13,10-19)25-11-22-18(21)24-25/h2-3,5,11,13-14H,4,6-10H2,1H3,(H,23,27)InChIKey
YUKCPSYYJZSDEQ-UHFFFAOYSA-NSynonyms
444923-23-33(3CHLORO124TRIAZOL1YL)N(4METHYL3NITROPHENYL)ADAMANTANE1CARBOXAMIDE
3(3chloro1H124triazol1yl)N(4methyl3nitrophenyl)tricyclo(3311~37~)decane1carboxamide
444923233
CC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)(N+)(=O)(O)
Clc1ncn(n1)C12CC3CC(C1)CC(C2)(C3)C(=O)Nc1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC20H22ClN5O3c1122315(516(12)26(28)29)2317(27)19613414(719)920(8131019)25112218(21)2425h235111314H4610H21H3(H2327)
ZINC000013882165
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