Vitas-M small molecule compound
3-methyl-8-nitro-1'-(prop-2-en-1-yl)-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Catalog ID
STK782251
SMILES C=CCN1C(=S)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CC(C)CC1)[N+](=O)[O-]
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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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-3-7-23-18(26)20(17(25)21-19(23)29)11-13-10-14(24(27)28)4-5-15(13)22-8-6-12(2)9-16(20)22/h3-5,10,12,16H,1,6-9,11H2,2H3,(H,21,25,29)InChIKey
VRDFBBPSJLJMTB-UHFFFAOYSA-NSynonyms
3methyl8nitro1(prop2en1yl)2thioxo2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)46(1H3H)dione
3methyl8nitro1prop2enyl2sulfanylidenespiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)46dione
C=CCN1C(=S)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CC(C)CC1)(N+)(=O)(O)
CC1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC20H22N4O4Sc1372318(26)20(17(25)2119(23)29)11131014(24(27)28)4515(13)228612(2)916(20)22h35101216H16911H22H3(H212529)
MFCD06017251
ZINC000014944667
ZINC000248340970
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