Vitas-M small molecule compound
4-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL057808
SMILES Cc1ccc(cc1)OCCN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(C)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 C22H31N5O3S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O3S/c1-16(2)21-24-25-22(31-21)23-19(28)8-9-20(29)27-12-10-26(11-13-27)14-15-30-18-6-4-17(3)5-7-18/h4-7,16H,8-15H2,1-3H3,(H,23,25,28)InChIKey
CHSGYPQNQFHYNY-UHFFFAOYSA-NSynonyms
713089-91-94(4(2(4methylphenoxy)ethyl)piperazin1yl)4oxoN((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)butanamide
4(4(2(4METHYLPHENOXY)ETHYL)PIPERAZIN1YL)4OXON(5PROPAN2YL134THIADIAZOL2YL)BUTANAMIDE
713089919
CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(C)C
Cc1ccc(cc1)OCCN1CCN(CC1)C(=O)CCC(=O)N=c1(nH)nc(s1)C(C)C
InChI=1SC22H31N5O3Sc116(2)21242522(3121)2319(28)8920(29)27121026(111327)141530186417(3)5718h4716H815H213H3(H232528)
MFCD05725147
ZINC000001278822
ZINC01278822
ZINC1278822
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