Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbothioamide
Catalog ID
STL323605
SMILES NC(=S)C1=C(N)OC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)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 C18H19N3O4S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S/c1-18(2)7-11(22)14-12(8-18)25-16(19)15(17(20)26)13(14)9-3-5-10(6-4-9)21(23)24/h3-6,13H,7-8,19H2,1-2H3,(H2,20,26)InChIKey
XAGYQHJKASYUNW-UHFFFAOYSA-NSynonyms
371781-05-42amino77dimethyl4(4nitrophenyl)5oxo5678tetrahydro4Hchromene3carbothioamide
2AMINO77DIMETHYL4(4NITROPHENYL)5OXO68DIHYDRO4HCHROMENE3CARBOTHIOAMIDE
371781054
CC1(CC2=C(C(C(=C(O2)N)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C1)C
InChI=1SC18H19N3O4Sc118(2)711(22)1412(818)2516(19)15(17(20)26)13(14)93510(649)21(23)24h3613H7819H212H3(H22026)
MFCD01088251
NC(=S)C1=C(N)OC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000100460556
ZINC000100460563
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