Vitas-M small molecule compound
methyl 4-[(12aS)-1,4-dioxo-2-(thiophen-2-ylmethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Catalog ID
STL537194
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1cccs1
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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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c1-34-27(33)17-10-8-16(9-11-17)25-24-20(19-6-2-3-7-21(19)28-24)13-22-26(32)29(15-23(31)30(22)25)14-18-5-4-12-35-18/h2-12,22,25,28H,13-15H2,1H3/t22-,25?/m0/s1InChIKey
GVJKUJMCXPILAZ-XADRRFQNSA-NSynonyms
956943-09-216401373
956943092
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1cccs1
InChI=1SC27H23N3O4Sc13427(33)1710816(91117)252420(19623721(19)2824)132226(32)29(1523(31)30(22)25)141854123518h212222528H1315H21H3t2225?m0s1
methyl4((12aS)14dioxo2(thiophen2ylmethyl)1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))47dioxo6(thiophen2ylmethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05674271
ZINC000002118562
ZINC000002118563
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