Vitas-M small molecule compound
(12aS)-6-(3-nitrophenyl)-2-(thiophen-2-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529261
SMILES O=C1CN(Cc2cccs2)C(=O)[C@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
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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 C25H20N4O4S MW 472.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4S/c30-22-14-27(13-17-7-4-10-34-17)25(31)21-12-19-18-8-1-2-9-20(18)26-23(19)24(28(21)22)15-5-3-6-16(11-15)29(32)33/h1-11,21,24,26H,12-14H2/t21-,24?/m0/s1InChIKey
HVLCBQDVTRVCHD-XEGCMXMBSA-NSynonyms
956912-04-2(12aS)6(3nitrophenyl)2(thiophen2ylmethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3nitrophenyl)2(thiophen2ylmethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(3nitrophenyl)6(thiophen2ylmethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401473
956912042
InChI=1SC25H20N4O4Sc30221427(131774103417)25(31)21121918812920(18)2623(19)24(28(21)22)1553616(1115)29(32)33h111212426H1214H2t2124?m0s1
MFCD05674841
O=C1CN(Cc2cccs2)C(=O)(C@H)2N1C(c1cccc(c1)(N+)(=O)(O))c1c(C2)c2c((nH)1)cccc2
ZINC000001892358
ZINC000001892364
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