Vitas-M small molecule compound
(2alpha,3beta,8xi,9xi,14xi,17beta)-2-methylandrostane-3,17-diyl dibenzoate
Catalog ID
STL001783
SMILES C[C@@H]1C[C@@]2(C)C(C[C@H]1OC(=O)c1ccccc1)CCC1C2CC[C@]2(C1CC[C@@H]2OC(=O)c1ccccc1)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 C34H42O4 MW 514.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42O4/c1-22-21-34(3)25(20-29(22)37-31(35)23-10-6-4-7-11-23)14-15-26-27-16-17-30(33(27,2)19-18-28(26)34)38-32(36)24-12-8-5-9-13-24/h4-13,22,25-30H,14-21H2,1-3H3/t22-,25?,26?,27?,28?,29-,30+,33+,34+/m1/s1InChIKey
QSDCEBXTHMXIAQ-OETFMNIVSA-NSynonyms
((2R3R10S13S17S)3benzoyloxy21013trimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)benzoate
(2alpha3beta8xi9xi14xi17beta)2methylandrostane317diyldibenzoate
(2R3R8R9S10S13S14S17S)21013trimethylhexadecahydro1Hcyclopenta(a)phenanthrene317diyldibenzoate
C(C@@H)1C(C@@)2(C)C(C(C@H)1OC(=O)c1ccccc1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2OC(=O)c1ccccc1)C
C(C@@H)1C(C@@)2(C)C(C(C@H)1OC(=O)c1ccccc1)CCC1C2CC(C@)2(C1CC(C@@H)2OC(=O)c1ccccc1)C
CC1CC2(C(CCC3C2CCC4(C3CCC4OC(=O)C5=CC=CC=C5)C)CC1OC(=O)C6=CC=CC=C6)C
InChI=1SC34H42O4c1222134(3)25(2029(22)3731(35)23106471123)14152627161730(33(272)191828(26)34)3832(36)24128591324h413222530H1421H213H3t2225?26?27?28?2930+33+34+m1s1
MFCD02115382
ZINC000070691987
ZINC000253499539
Check stock
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Check stock on Vitas-MAvailable files
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