Vitas-M small molecule compound
3-[(4-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one
Catalog ID
STL313265
SMILES COc1ccccc1N1CCN(CC1)C(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2
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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 C26H31N5O3 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O3/c1-34-24-9-5-4-8-23(24)29-14-16-30(17-15-29)25(32)20-12-10-19(11-13-20)18-31-26(33)21-6-2-3-7-22(21)27-28-31/h2-9,19-20H,10-18H2,1H3InChIKey
JYCKDMRDFSHCHT-UHFFFAOYSA-NSynonyms
1435908-74-91435908749
3(((1r4r)4(4(2methoxyphenyl)piperazine1carbonyl)cyclohexyl)methyl)benzo(d)(123)triazin4(3H)one
3((4((4(2methoxyphenyl)piperazin1yl)carbonyl)cyclohexyl)methyl)123benzotriazin4(3H)one
3((4(4(2methoxyphenyl)piperazine1carbonyl)cyclohexyl)methyl)123benzotriazin4one
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5N=N4
COc1ccccc1N1CCN(CC1)C(=O)(C@@H)1CC(C@H)(CC1)Cn1nnc2c(c1=O)cccc2
InChI=1SC26H31N5O3c13424954823(24)29141630(171529)25(32)20121019(111320)183126(33)21623722(21)272831h291920H1018H21H3
MFCD27962590
ZINC000095475401
ZINC101372163
ZINC95475401
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