Vitas-M small molecule compound
methyl 3-acetyl-1-(4-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Catalog ID
STL005579
SMILES COC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccc(cc1)Cl)C(=O)C)c1ccccc1
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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 C21H18ClN3O3S2 MW 459.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S2/c1-13-18(20(27)28-3)29-21(24(13)16-7-5-4-6-8-16)25(23-19(30-21)14(2)26)17-11-9-15(22)10-12-17/h4-12H,1-3H3InChIKey
ZZZINZQMEKMGAP-UHFFFAOYSA-NSynonyms
670263-19-1670263191
CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)C)C4=CC=C(C=C4)Cl)C(=O)OC
InChI=1SC21H18ClN3O3S2c11318(20(27)283)2921(24(13)167546816)25(2319(3021)14(2)26)1711915(22)101217h412H13H3
methyl2acetyl4(4chlorophenyl)8methyl9phenyl16dithia349triazaspiro(44)nona27diene7carboxylate
methyl3acetyl1(4chlorophenyl)8methyl9phenyl46dithia129triazaspiro(44)nona27diene7carboxylate
METHYL8ACETYL6(4CHLOROPHENYL)2METHYL1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE3CARBOXYLATE
MFCD04190033
ZINC000002425560
ZINC000002425561
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