Vitas-M small molecule compound
3-methyl-N-{[5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK211493
SMILES O=C(NC1CCCCC1C)CSc1nnc(n1c1ccccc1)CNC(=O)c1cccc(c1)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 C26H31N5O2S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O2S/c1-18-9-8-11-20(15-18)25(33)27-16-23-29-30-26(31(23)21-12-4-3-5-13-21)34-17-24(32)28-22-14-7-6-10-19(22)2/h3-5,8-9,11-13,15,19,22H,6-7,10,14,16-17H2,1-2H3,(H,27,33)(H,28,32)InChIKey
UPDDYKFIFFJZRD-UHFFFAOYSA-NSynonyms
3METHYLN((5((2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
3methylN((5(2((2methylcyclohexyl)amino)2oxoethyl)sulfanyl4phenyl124triazol3yl)methyl)benzamide
CC1CCCCC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)C
InChI=1SC26H31N5O2Sc118981120(1518)25(33)271623293026(31(23)21124351321)341724(32)282214761019(22)2h35891113151922H6710141617H212H3(H2733)(H2832)
MFCD04378006
ZINC000010076391
ZINC000010076419
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