Vitas-M small molecule compound
(1R,5aR,5bR,11aR)-3a-isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one
Catalog ID
STL527267
SMILES O=C=NC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(=O)C3(C)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 C30H45NO2 MW 451.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H45NO2/c1-19(2)20-10-15-30(31-18-32)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(33)26(3,4)22(27)11-14-29(23,28)7/h20-23,25H,1,8-17H2,2-7H3/t20-,21?,22?,23?,25?,27-,28+,29+,30?/m0/s1InChIKey
VQWHXXYGQNAQAN-YRBIWMMXSA-NSynonyms
(1~(R)5~(a)~(R)5~(b)~(R)11~(a)~(R))3~(a)isocyanato5~(a)5~(b)8811~(a)pentamethyl1prop1en2yl2345677~(a)101111~(b)121313~(a)13~(b)tetradecahydro1~(H)cyclopenta(a)chrysen9one
(1R5aR5bR11aR)3aisocyanato5a5b8811apentamethyl1(prop1en2yl)icosahydro9Hcyclopenta(a)chrysen9one
(1R5aR5bR11aR11bR13aR)3aisocyanato5a5b8811apentamethyl1(prop1en2yl)octadecahydro1Hcyclopenta(a)chrysen9(5bH)one
44713170
InChI=1SC30H45NO2c119(2)20101530(311832)171628(6)21(25(20)30)892327(5)131224(33)26(34)22(27)111429(2328)7h202325H1817H227H3t2021?22?23?25?2728+29+30?m0s1
MFCD02057133
O=C=NC12CC(C@H)(C2(C@@H)2(C@)(CC1)(C)(C@)1(C)CCC3(C@)((C@H)1CC2)(C)CCC(=O)C3(C)C)C(=C)C
ZINC000012661076
ZINC000253500069
Check stock
See real-time availability and sample size for STL527267 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.