Vitas-M small molecule compound
4-chloro-N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide
Catalog ID
STK184678
SMILES ClCCCC(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(c(c1)Cl)OC
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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 C18H17Cl2N5O2S MW 438.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2N5O2S/c1-27-16-7-5-12(10-13(16)20)25-23-14-6-4-11(9-15(14)24-25)21-18(28)22-17(26)3-2-8-19/h4-7,9-10H,2-3,8H2,1H3,(H2,21,22,26,28)InChIKey
TVIFJTXKSVCNCR-UHFFFAOYSA-NSynonyms
637727-61-84CHLORON((2(3CHLORO4METHOXYPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)BUTANAMIDE
4CHLORON((2(3CHLORO4METHOXYPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)BUTANAMIDE
637727618
COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CCCCl)Cl
InChI=1SC18H17Cl2N5O2Sc127167512(1013(16)20)2523146411(915(14)2425)2118(28)2217(26)32819h47910H238H21H3(H221222628)
MFCD04096451
ZINC000009906682
ZINC09906682
ZINC9906682
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