Vitas-M small molecule compound
N-{[2-(4-butylphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-4-methyl-3-nitrobenzamide
Catalog ID
STK237225
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])C
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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 C26H26N6O3S MW 502.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O3S/c1-4-5-6-18-8-11-20(12-9-18)31-29-22-13-17(3)21(15-23(22)30-31)27-26(36)28-25(33)19-10-7-16(2)24(14-19)32(34)35/h7-15H,4-6H2,1-3H3,(H2,27,28,33,36)InChIKey
AMOKDHJAHKRPCP-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)C)(N+)(=O)(O))C
CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC26H26N6O3Sc14561881120(12918)3129221317(3)21(1523(22)3031)2726(36)2825(33)1910716(2)24(1419)32(34)35h715H46H213H3(H227283336)
MFCD04077866
N((2(4butylphenyl)6methyl2Hbenzotriazol5yl)carbamothioyl)4methyl3nitrobenzamide
N((2(4BUTYLPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)4METHYL3NITROBENZAMIDE
ZINC000001850696
ZINC01850696
ZINC1850696
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