Vitas-M small molecule compound
4-(4,11-di-tert-butyl-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)phenyl acetate (non-preferred name)
Catalog ID
STL335195
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1ccc(c2)C(C)(C)C)ccc(c3)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 C34H35NO4 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35NO4/c1-18(36)39-22-12-10-21(11-13-22)35-31(37)29-27-24-15-9-20(34(5,6)7)17-26(24)28(30(29)32(35)38)23-14-8-19(16-25(23)27)33(2,3)4/h8-17,27-30H,1-7H3InChIKey
QKLWJJXGEBEIJL-UHFFFAOYSA-NSynonyms
497164-79-14((9S10S)26ditertbutyl1214dioxo11121415tetrahydro9H910(34)epipyrroloanthracen13(10H)yl)phenylacetate
4(411ditertbutyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylacetate(nonpreferredname)
497164791
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=C(C3C6=C4C=C(C=C6)C(C)(C)C)C=C(C=C5)C(C)(C)C
InChI=1SC34H35NO4c118(36)3922121021(111322)3531(37)29272415920(34(56)7)1726(24)28(30(29)32(35)38)2314819(1625(23)27)33(23)4h8172730H17H3
MFCD00318370
ZINC000100494550
ZINC000101098008
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