Vitas-M small molecule compound
(5aR,5bR,7aR,11bR,13bR)-5a,5b,10,10,13b-pentamethyloctadecahydro-11,7a-(epoxymethano)cyclopenta[a]chrysen-3(3aH)-one
Catalog ID
STL537924
SMILES O=C1CC[C@]2(C1CC[C@@]1(C2CC[C@H]2[C@@]1(C)CC[C@@]13C2C(OC1)C(CC3)(C)C)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 C27H42O2 MW 398.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42O2/c1-23(2)12-14-27-15-13-25(4)18(21(27)22(23)29-16-27)6-7-20-24(3)10-9-19(28)17(24)8-11-26(20,25)5/h17-18,20-22H,6-16H2,1-5H3/t17?,18-,20?,21?,22?,24+,25-,26-,27-/m1/s1InChIKey
UWBPSDCYSHEQGU-KWRXVKFWSA-NSynonyms
(1~(R)4~(R)5~(R)12~(R)16~(R))45121919pentamethyl23oxahexacyclo(16320^(117)0^(416)0^(513)0^(812))tricosan9one
(5aR5bR7aR11bR13bR)5a5b101013bpentamethyloctadecahydro117a(epoxymethano)cyclopenta(a)chrysen3(2H)one
(5aR5bR7aR11bR13bR)5a5b101013bpentamethyloctadecahydro117a(epoxymethano)cyclopenta(a)chrysen3(3aH)one
16400516
InChI=1SC27H42O2c123(2)121427151325(4)18(21(27)22(23)291627)672024(3)10919(28)17(24)81126(2025)5h17182022H616H215H3t17?1820?21?22?24+252627m1s1
MFCD05671562
O=C1CC(C@)2(C1CC(C@@)1(C2CC(C@H)2(C@@)1(C)CC(C@@)13C2C(OC1)C(CC3)(C)C)C)C
ZINC000001682223
ZINC000005825837
Check stock
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