Vitas-M small molecule compound
methyl 3-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Catalog ID
STL005696
SMILES COC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccc(cc1)[N+](=O)[O-])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 C21H18N4O5S2 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S2/c1-13-18(20(27)30-3)31-21(23(13)15-7-5-4-6-8-15)24(22-19(32-21)14(2)26)16-9-11-17(12-10-16)25(28)29/h4-12H,1-3H3InChIKey
HFWYKLNDQZKLPV-UHFFFAOYSA-NSynonyms
670263-26-0670263260
CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)C)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccc(cc1)(N+)(=O)(O))C(=O)C)c1ccccc1
InChI=1SC21H18N4O5S2c11318(20(27)303)3121(23(13)157546815)24(2219(3221)14(2)26)1691117(121016)25(28)29h412H13H3
methyl2acetyl8methyl4(4nitrophenyl)9phenyl16dithia349triazaspiro(44)nona27diene7carboxylate
methyl3acetyl8methyl1(4nitrophenyl)9phenyl46dithia129triazaspiro(44)nona27diene7carboxylate
METHYL8ACETYL2METHYL6(4NITROPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE3CARBOXYLATE
MFCD04076021
ZINC000009193467
ZINC000009193469
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