Vitas-M small molecule compound
ethyl 7-acetyl-1-(3-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Catalog ID
STL006336
SMILES CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1cccc(c1)Cl
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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 C22H20ClN3O3S2 MW 474.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3S2/c1-4-29-21(28)20-24-26(18-12-8-9-16(23)13-18)22(31-20)25(17-10-6-5-7-11-17)14(2)19(30-22)15(3)27/h5-13H,4H2,1-3H3InChIKey
CSCIJOMLQFTJCO-UHFFFAOYSA-NSynonyms
670263-04-4670263044
CCOC(=O)C1=NN(C2(S1)N(C(=C(S2)C(=O)C)C)C3=CC=CC=C3)C4=CC(=CC=C4)Cl
ETHYL3ACETYL6(3CHLOROPHENYL)2METHYL1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE8CARBOXYLATE
ethyl7acetyl1(3chlorophenyl)8methyl9phenyl46dithia129triazaspiro(44)nona27diene3carboxylate
ethyl7acetyl4(3chlorophenyl)8methyl9phenyl16dithia349triazaspiro(44)nona27diene2carboxylate
InChI=1SC22H20ClN3O3S2c142921(28)202426(18128916(23)1318)22(3120)25(17106571117)14(2)19(3022)15(3)27h513H4H213H3
MFCD04171174
ZINC000002418725
ZINC000002418726
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