Vitas-M small molecule compound
4-tert-butylphenyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclohexanecarboxylate (non-preferred name)
Catalog ID
STK275562
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)Oc1ccc(cc1)C(C)(C)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 C35H35NO4 MW 533.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35NO4/c1-35(2,3)21-14-18-23(19-15-21)40-34(39)20-12-16-22(17-13-20)36-32(37)30-28-24-8-4-5-9-25(24)29(31(30)33(36)38)27-11-7-6-10-26(27)28/h4-11,14-15,18-20,22,28-31H,12-13,16-17H2,1-3H3InChIKey
BEHMNXBULOWJHZ-UHFFFAOYSA-NSynonyms
4tertbutylphenyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)cyclohexanecarboxylate(nonpreferredname)
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC35H35NO4c135(23)21141823(191521)4034(39)20121622(171320)3632(37)302824845925(24)29(31(30)33(36)38)2711761026(27)28h41114151820222831H12131617H213H3
MFCD03037735
ZINC000008875057
ZINC000017988472
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