Vitas-M small molecule compound
(8xi,9xi,13xi,14xi)-10-methyl-17-(6-methylheptan-2-yl)gon-5-en-3-yl 4-aminobenzoate
Catalog ID
STL566072
SMILES CC(CCCC(C1CCC2C1CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)c1ccc(cc1)N)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 C33H49NO2 MW 491.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H49NO2/c1-21(2)6-5-7-22(3)27-14-15-29-28(27)16-17-31-30(29)13-10-24-20-26(18-19-33(24,31)4)36-32(35)23-8-11-25(34)12-9-23/h8-12,21-22,26-31H,5-7,13-20,34H2,1-4H3/t22?,26?,27?,28?,29?,30?,31?,33-/m0/s1InChIKey
INJDWBKZKNIFDN-SZMCNPKLSA-NSynonyms
((10R)10methyl17(6methylheptan2yl)123478911121314151617tetradecahydrocyclopenta(a)phenanthren3yl)4aminobenzoate
(3S8S9S10R14R17R)10methyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl4aminobenzoate
(8xi9xi13xi14xi)10methyl17(6methylheptan2yl)gon5en3yl4aminobenzoate
145705584
CC(CCC(C@H)((C@H)1CC(C@@H)2C1CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)c1ccc(cc1)N)C)C
InChI=1SC33H49NO2c121(2)65722(3)2714152928(27)16173130(29)1310242026(181933(2431)4)3632(35)2381125(34)12923h81221222631H57132034H214H3t22?26?27?28?29?30?31?33m0s1
ZINC000033896785
ZINC001848443845
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