Vitas-M small molecule compound

(5alpha,6E,8xi,10xi,13xi,17xi,25xi)-6-(hydroxyimino)cevane-3,20-diol

Catalog ID
STL524822
SMILES O/N=C/1\CC2[C@@H]3CCC4C([C@@H]3C[C@@H]2C2([C@@H]1CC(O)CC2)C)CN1[C@H]([C@@]4(C)O)CCC(C1)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 C27H44N2O3 MW 444.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H44N2O3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-29(25)13-15)11-22-19(17)12-24(28-32)23-10-16(30)8-9-26(22,23)2/h15-23,25,30-32H,4-14H2,1-3H3/b28-24+/t15?,16?,17-,18-,19?,20?,21?,22+,23-,25+,26?,27+/m1/s1
InChIKey
UVCZBQKGSYAGJD-JCINXFTMSA-N
Synonyms

(1~(R)9~(S)10~(S)14~(S)17~(E)18~(S)24~(S))17hydroxyimino61023trimethyl4azahexacyclo(121100^(211)0^(49)0^(1524)0^(1823))pentacosane1020diol
(3S4aS6aS6bS8aR9S9aS12S15aS15bR16aS16bRE)39dihydroxy91216btrimethyldocosahydrobenzo(45)indeno(12h)pyrido(12b)isoquinolin5(15bH)oneoxime
(5alpha6E8xi10xi13xi17xi25xi)6(hydroxyimino)cevane320diol
135638984
InChI=1SC27H44N2O3c115472527(331)21651718(20(21)1429(25)1315)112219(17)1224(2832)231016(30)8926(2223)2h1523253032H414H213H3b2824+t15?16?171819?20?21?22+2325+26?27+m1s1
MFCD01844447
ON=C1C(C@H)2(C@@H)3CC(C@@H)4(C@H)((C@@H)3C(C@@H)2(C@@)2((C@@H)1C(C@@H)(O)CC2)C)CN1(C@H)((C@@)4(C)O)CC(C@@H)(C1)C
ZINC001772491851
ZINC001772491860

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Available files

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