Vitas-M small molecule compound
methyl 7-acetyl-8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Catalog ID
STK845605
SMILES COC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1ccccc1[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 C21H18N4O5S2 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S2/c1-13-18(14(2)26)31-21(23(13)15-9-5-4-6-10-15)24(22-19(32-21)20(27)30-3)16-11-7-8-12-17(16)25(28)29/h4-12H,1-3H3InChIKey
IUHANQCUGMXNEK-UHFFFAOYSA-NSynonyms
585564-14-3585564143
CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)OC)C4=CC=CC=C4(N+)(=O)(O))C(=O)C
COC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1ccccc1(N+)(=O)(O)
InChI=1SC21H18N4O5S2c11318(14(2)26)3121(23(13)1595461015)24(2219(3221)20(27)303)1611781217(16)25(28)29h412H13H3
METHYL3ACETYL2METHYL6(2NITROPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE8CARBOXYLATE
methyl7acetyl8methyl1(2nitrophenyl)9phenyl46dithia129triazaspiro(44)nona27diene3carboxylate
methyl7acetyl8methyl4(2nitrophenyl)9phenyl16dithia349triazaspiro(44)nona27diene2carboxylate
MFCD04030904
ZINC000009190566
ZINC000009190569
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