Vitas-M small molecule compound
4-chloro-N-{2-[5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK219040
SMILES C=CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCc1nc2ccccc2c(=O)[nH]1
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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 C23H21ClN6O2S MW 480.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN6O2S/c1-2-13-30-20(11-12-25-21(31)15-7-9-16(24)10-8-15)28-29-23(30)33-14-19-26-18-6-4-3-5-17(18)22(32)27-19/h2-10H,1,11-14H2,(H,25,31)(H,26,27,32)InChIKey
OWRZKXFCMOGSHA-UHFFFAOYSA-NSynonyms
4CHLORON(2(5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(2(5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)ETHYL)BENZAMIDE
C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCNC(=O)C4=CC=C(C=C4)Cl
C=CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCc1nc2ccccc2c(=O)(nH)1
InChI=1SC23H21ClN6O2Sc12133020(11122521(31)157916(24)10815)282923(30)3314192618643517(18)22(32)2719h210H11114H2(H2531)(H262732)
MFCD07189206
ZINC000009302396
ZINC09302396
ZINC9302396
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