Vitas-M small molecule compound

(2S,4aR,6aS,6bS)-6b-[(1E)-N-(acetyloxy)ethanimidoyl]-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b,9-hexadecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2-yl acetate

Catalog ID
STK756309
SMILES CC(=O)O/N=C(/[C@@]12CC1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CC[C@@H](C1)OC(=O)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 C26H37NO4 MW 427.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO4/c1-15(27-31-17(3)29)26-14-19(26)13-23-21-7-6-18-12-20(30-16(2)28)8-10-24(18,4)22(21)9-11-25(23,26)5/h6,19-23H,7-14H2,1-5H3/b27-15+/t19?,20-,21?,22?,23?,24-,25-,26-/m0/s1
InChIKey
GGQIDQJAIYDGEX-HNMVVSPGSA-N
Synonyms

(2S4aR6aS6bS)6b((1E)N(acetyloxy)ethanimidoyl)4a6adimethyl12344a4b566a6b77a88a8b9hexadecahydrocyclopropa(34)cyclopenta(12a)phenanthren2ylacetate
CC(=NOC(=O)C)C12CC1CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C
CC(=O)ON=C((C@@)12CC1CC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CC(C@@H)(C1)OC(=O)C)C
InChI=1SC26H37NO4c115(273117(3)29)261419(26)13232176181220(3016(2)28)81024(184)22(21)91125(2326)5h61923H714H215H3b2715+t19?2021?22?23?242526m0s1
MFCD01244699
ZINC000012362682
ZINC000253505578

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Available files

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