Vitas-M small molecule compound
(5xi,8xi,9xi,12xi,13xi,14xi,17xi,22xi,25xi)-20-hydroxy-6-oxocevan-3-yl benzoate
Catalog ID
STK042148
SMILES CC1CCC2N(C1)CC1C([C@]2(C)O)CCC2C1CC1C2CC(=O)C2[C@]1(C)CCC(C2)OC(=O)c1ccccc1
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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 C34H47NO4 MW 533.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H47NO4/c1-20-9-12-31-34(3,38)27-11-10-23-24(26(27)19-35(31)18-20)16-28-25(23)17-30(36)29-15-22(13-14-33(28,29)2)39-32(37)21-7-5-4-6-8-21/h4-8,20,22-29,31,38H,9-19H2,1-3H3/t20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,33-,34+/m1/s1InChIKey
AQGKXMYBXMXQKH-WJVWTGPHSA-NSynonyms
(3S4aS6aS6bS8aR9S9aS12S15aS15bR16aS16bR)9hydroxy91216btrimethyl5oxotetracosahydrobenzo(45)indeno(12h)pyrido(12b)isoquinolin3ylbenzoate
(5XI8XI9XI12XI13XI14XI17XI22XI25XI)20HYDROXY6OXOCEVAN3YLBENZOATE
C(C@H)1CC(C@@H)2N(C1)C(C@@H)1(C@H)((C@)2(C)O)CC(C@@H)2(C@H)1C(C@H)1(C@H)2CC(=O)(C@@H)2(C@)1(C)CC(C@@H)(C2)OC(=O)c1ccccc1
CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)OC(=O)C7=CC=CC=C7)C)(C)O
CC1CCC2N(C1)CC1C((C@)2(C)O)CCC2C1CC1C2CC(=O)C2(C@)1(C)CCC(C2)OC(=O)c1ccccc1
InChI=1SC34H47NO4c1209123134(338)2711102324(26(27)1935(31)1820)162825(23)1730(36)291522(131433(2829)2)3932(37)217546821h482022293138H919H213H3t20?22?23?24?25?26?27?28?29?31?3334+m1s1
MFCD01543887
STK042148
ZINC000248327860
ZINC000252428374
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