Vitas-M small molecule compound
8-chloro-3-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}phenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL141972
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)N1C(=O)NC2CC1(C)Oc1c2cc(cc1)Cl
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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 C29H29ClN4O4 MW 533.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN4O4/c1-29-18-25(24-17-20(30)5-12-26(24)38-29)31-28(36)34(29)22-6-3-19(4-7-22)27(35)33-15-13-32(14-16-33)21-8-10-23(37-2)11-9-21/h3-12,17,25H,13-16,18H2,1-2H3,(H,31,36)InChIKey
HERGOTZFOBBUAB-UHFFFAOYSA-NSynonyms
901740-59-88chloro3(4((4(4methoxyphenyl)piperazin1yl)carbonyl)phenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
901740598
CC12CC(C3=C(O1)C=CC(=C3)Cl)NC(=O)N2C4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)OC
InChI=1SC29H29ClN4O4c1291825(241720(30)51226(24)3829)3128(36)34(29)226319(4722)27(35)33151332(141633)2181023(372)11921h3121725H131618H212H3(H3136)
MFCD14757181
ZINC000101416055
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