Vitas-M small molecule compound
(12aS)-2-(4-chlorobenzyl)-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457943
SMILES COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc(cc1)Cl
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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 C30H28ClN3O5 MW 546.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O5/c1-37-24-12-18(13-25(38-2)29(24)39-3)28-27-21(20-6-4-5-7-22(20)32-27)14-23-30(36)33(16-26(35)34(23)28)15-17-8-10-19(31)11-9-17/h4-13,23,28,32H,14-16H2,1-3H3/t23-,28?/m0/s1InChIKey
JXIPAZKVTPCLBD-UHFKCPIBSA-NSynonyms
(12aR)2(4chlorobenzyl)6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(4chlorobenzyl)6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(4chlorobenzyl)6(345trimethoxyphenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
COC1=CC(=CC(=C1OC)OC)C2C3=C(CC4N2C(=O)CN(C4=O)CC5=CC=C(C=C5)Cl)C6=CC=CC=C6N3
COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(cc1)Cl
COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)(C@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(cc1)Cl
InChI=1SC30H28ClN3O5c137241218(1325(382)29(24)393)282721(20645722(20)3227)142330(36)33(1626(35)34(23)28)151781019(31)11917h413232832H1416H213H3t2328?m0s1
MFCD03851833
ZINC000102575837
ZINC000102575840
Check stock
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Check stock on Vitas-MAvailable files
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