Vitas-M small molecule compound
10a-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-8,10,10-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STL049495
SMILES O=C1CCN2C(N1)(/C=C/c1cc(ccc1Cl)[N+](=O)[O-])C(C)(C)c1c2ccc(c1)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 C22H22ClN3O3 MW 411.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3/c1-14-4-7-19-17(12-14)21(2,3)22(24-20(27)9-11-25(19)22)10-8-15-13-16(26(28)29)5-6-18(15)23/h4-8,10,12-13H,9,11H2,1-3H3,(H,24,27)/b10-8+InChIKey
TUAVOUGISZUPSM-CSKARUKUSA-NSynonyms
(E)10a(2chloro5nitrostyryl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
10a((E)2(2chloro5nitrophenyl)ethenyl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
10a((E)2(2chloro5nitrophenyl)ethenyl)81010trimethyl34dihydro1Hpyrimido(12a)indol2one
CC1=CC2=C(C=C1)N3CCC(=O)NC3(C2(C)C)C=CC4=C(C=CC(=C4)(N+)(=O)(O))Cl
InChI=1SC22H22ClN3O3c114471917(1214)21(23)22(2420(27)91125(19)22)108151316(26(28)29)5618(15)23h48101213H911H213H3(H2427)b108+
O=C1CCN2C(N1)(C=Cc1cc(ccc1Cl)(N+)(=O)(O))C(C)(C)c1c2ccc(c1)C
ZINC000005216241
ZINC000005216242
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