Vitas-M small molecule compound
methyl (2S,4aS,6aS,6bR,15aS)-2,4a,6a,6b,9,9,15a-heptamethyl-16-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-1H-chryseno[2,1-b]carbazole-2-carboxylate
Catalog ID
STL525479
SMILES COC(=O)[C@@]1(C)CC[C@]2(C(C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)Cc2c3ccccc3[nH]c2C1(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 C37H49NO3 MW 555.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H49NO3/c1-32(2)28-13-14-37(7)29(35(28,5)20-23-22-11-9-10-12-26(22)38-30(23)32)27(39)19-24-25-21-34(4,31(40)41-8)16-15-33(25,3)17-18-36(24,37)6/h9-12,19,25,28-29,38H,13-18,20-21H2,1-8H3/t25?,28?,29?,33-,34+,35+,36-,37-/m1/s1InChIKey
OBFXFIRRJYJXQD-XEMBDGEHSA-NSynonyms
(2S4aS6aS6bR15aS)methyl24a6a6b9915aheptamethyl16oxo2344a566a6b788a9101515a15b1617boctadecahydro1Hchryseno(21b)carbazole2carboxylate
16396504
COC(=O)(C@@)1(C)CC(C@)2(C(C1)C1=CC(=O)C3(C@@)((C@@)1(CC2)C)(C)CCC1(C@)3(C)Cc2c3ccccc3(nH)c2C1(C)C)C
InChI=1SC37H49NO3c132(2)28131437(7)29(35(285)202322119101226(22)3830(23)32)27(39)1924252134(431(40)418)161533(253)171836(2437)6h9121925282938H13182021H218H3t25?28?29?3334+35+3637m1s1
methyl(2~(S)17~(R)18~(S)21~(S)24~(S))2131317182124heptamethyl29oxo11azaheptacyclo(151200^(214)0^(412)0^(510)0^(1827)0^(2126))nonacosa4(12)57927pentaene24carboxylate
methyl(2S4aS6aS6bR15aS)24a6a6b9915aheptamethyl16oxo2344a566a6b788a9101515a15b1617boctadecahydro1Hchryseno(21b)carbazole2carboxylate
MFCD01881309
ZINC000004011508
ZINC000229961410
Check stock
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