Vitas-M small molecule compound
4-[(6R,13S)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonyl]-1-(2H-indazol-3-yl)pyrrolidin-2-one
Catalog ID
STL546625
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31)C1CC(=O)N(C1)c1[nH]nc2c1cccc2
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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 C27H33N5O2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O2/c33-24-14-20(16-32(24)26-21-7-1-2-8-22(21)28-29-26)27(34)31-11-5-6-17-12-18-13-19(25(17)31)15-30-10-4-3-9-23(18)30/h1-2,7-8,12,18-20,23,25H,3-6,9-11,13-16H2,(H,28,29)/t18-,19+,20?,23?,25?/m0/s1InChIKey
DIRYPNHUZPHVLT-GHIQQKHDSA-NSynonyms
4((6R13S)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonyl)1(2Hindazol3yl)pyrrolidin2one
4((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbonyl)1(1Hindazol3yl)pyrrolidin2one
InChI=1SC27H33N5O2c33241420(1632(24)2621712822(21)282926)27(34)3111561712181319(25(17)31)15301043923(18)30h12781218202325H369111316H2(H2829)t1819+20?23?25?m0s1
O=C(N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)C1CC(=O)N(C1)c1n(nH)c2c1cccc2
ZINC000253399847
ZINC000253399858
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