Vitas-M small molecule compound
ethyl 7-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Catalog ID
STL049957
SMILES CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)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 C22H20N4O5S2 MW 484.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S2/c1-4-31-21(28)20-23-25(17-11-8-12-18(13-17)26(29)30)22(33-20)24(16-9-6-5-7-10-16)14(2)19(32-22)15(3)27/h5-13H,4H2,1-3H3InChIKey
QURRFWCDPULIEP-UHFFFAOYSA-NSynonyms
670263-08-8670263088
CCOC(=O)C1=NN(C2(S1)N(C(=C(S2)C(=O)C)C)C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1cccc(c1)(N+)(=O)(O)
ETHYL3ACETYL2METHYL6(3NITROPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE8CARBOXYLATE
ethyl7acetyl8methyl1(3nitrophenyl)9phenyl46dithia129triazaspiro(44)nona27diene3carboxylate
ethyl7acetyl8methyl4(3nitrophenyl)9phenyl16dithia349triazaspiro(44)nona27diene2carboxylate
InChI=1SC22H20N4O5S2c143121(28)202325(171181218(1317)26(29)30)22(3320)24(1696571016)14(2)19(3222)15(3)27h513H4H213H3
MFCD04173971
ZINC000001898468
ZINC000001898469
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