Vitas-M small molecule compound
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3-chloro-4-methoxyphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK317403
SMILES COc1ccc(cc1Cl)NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Br
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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 C20H22BrClN4O2 MW 465.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrClN4O2/c1-28-16-3-2-14(5-15(16)22)24-17(27)19-6-12-4-13(7-19)9-20(8-12,10-19)26-11-23-18(21)25-26/h2-3,5,11-13H,4,6-10H2,1H3,(H,24,27)InChIKey
WLMBGNPQZRLAQH-UHFFFAOYSA-NSynonyms
515848-67-63(3BROMO124TRIAZOL1YL)N(3CHLORO4METHOXYPHENYL)ADAMANTANE1CARBOXAMIDE
3(3BROMO1H124TRIAZOL1YL)N(3CHLORO4METHOXYPHENYL)1ADAMANTANECARBOXAMIDE
3(3bromo1H124triazol1yl)N(3chloro4methoxyphenyl)tricyclo(3311~37~)decane1carboxamide
515848676
COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)Cl
InChI=1SC20H22BrClN4O2c128163214(515(16)22)2417(27)19612413(719)920(8121019)26112318(21)2526h2351113H4610H21H3(H2427)
MFCD03759134
ZINC000012649857
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