Vitas-M small molecule compound
(5alpha,8xi,13xi,17xi,25xi)-20-hydroxy-6-oxocevan-3-yl furan-2-carboxylate
Catalog ID
STK042376
SMILES CC1CC[C@@H]2N(C1)CC1C([C@]2(C)O)CC[C@@H]2[C@H]1C[C@H]1C2CC(=O)[C@@H]2[C@]1(C)CCC(C2)OC(=O)c1ccco1
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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 C32H45NO5 MW 523.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H45NO5/c1-18-6-9-29-32(3,36)24-8-7-20-21(23(24)17-33(29)16-18)14-25-22(20)15-27(34)26-13-19(10-11-31(25,26)2)38-30(35)28-5-4-12-37-28/h4-5,12,18-26,29,36H,6-11,13-17H2,1-3H3/t18?,19?,20-,21-,22?,23?,24?,25+,26-,29+,31-,32+/m1/s1InChIKey
QDRWJGGEHHAYQU-HFJQUZJFSA-NSynonyms
(4aS6aS6bS9S9aS15bR16aS16bR)9hydroxy91216btrimethyl5oxotetracosahydrobenzo(45)indeno(12h)pyrido(12b)isoquinolin3ylfuran2carboxylate
(5ALPHA8XI13XI17XI25XI)20HYDROXY6OXOCEVAN3YLFURAN2CARBOXYLATE
CC1CC(C@@H)2N(C1)CC1C((C@)2(C)O)CC(C@@H)2(C@H)1C(C@H)1C2CC(=O)(C@@H)2(C@)1(C)CCC(C2)OC(=O)c1ccco1
CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)OC(=O)C7=CC=CO7)C)(C)O
InChI=1SC32H45NO5c118692932(336)24872021(23(24)1733(29)1618)142522(20)1527(34)261319(101131(2526)2)3830(35)2854123728h451218262936H6111317H213H3t18?19?202122?23?24?25+2629+3132+m1s1
MFCD01543387
STK042376
ZINC000070664526
ZINC000239174501
Check stock
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Check stock on Vitas-MAvailable files
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