Vitas-M small molecule compound
4-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl]butanoic acid
Catalog ID
STK732828
SMILES OC(=O)CCCn1c(nc(=S)c2c1CCCC2)c1cccc(c1)[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 C18H19N3O4S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S/c22-16(23)9-4-10-20-15-8-2-1-7-14(15)18(26)19-17(20)12-5-3-6-13(11-12)21(24)25/h3,5-6,11H,1-2,4,7-10H2,(H,22,23)InChIKey
CXGMVOSNHPPNFK-UHFFFAOYSA-NSynonyms
538338-51-14(2(3nitrophenyl)4sulfanylidene5678tetrahydroquinazolin1yl)butanoicacid
4(2(3nitrophenyl)4thioxo5678tetrahydroquinazolin1(4H)yl)butanoicacid
538338511
C1CCC2=C(C1)C(=S)N=C(N2CCCC(=O)O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC18H19N3O4Sc2216(23)94102015821714(15)18(26)1917(20)1253613(1112)21(24)25h35611H124710H2(H2223)
MFCD03544511
OC(=O)CCCn1c(nc(=S)c2c1CCCC2)c1cccc(c1)(N+)(=O)(O)
ZINC000000938424
ZINC938424
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