Vitas-M small molecule compound
3-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-N-[(2E)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-ylidene]propanamide
Catalog ID
STK650535
SMILES COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)/N=c/1\[nH]c2c(s1)cc(cc2)OC(F)(F)F
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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 C21H17F3N4O5S MW 494.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O5S/c1-31-15-8-12-14(9-16(15)32-2)25-10-28(19(12)30)6-5-18(29)27-20-26-13-4-3-11(7-17(13)34-20)33-21(22,23)24/h3-4,7-10H,5-6H2,1-2H3,(H,26,27,29)InChIKey
BKIRLGODRKQJLK-UHFFFAOYSA-NSynonyms
1144479-94-61144479946
3(67dimethoxy4oxoquinazolin3(4H)yl)N((2E)6(trifluoromethoxy)13benzothiazol2(3H)ylidene)propanamide
3(67dimethoxy4oxoquinazolin3yl)N(6(trifluoromethoxy)13benzothiazol2yl)propanamide
COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F)OC
COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)N=c1(nH)c2c(s1)cc(cc2)OC(F)(F)F
InChI=1SC21H17F3N4O5Sc1311581214(916(15)322)251028(19(12)30)6518(29)272026134311(717(13)3420)3321(2223)24h34710H56H212H3(H262729)
MFCD18165647
ZINC000032092033
ZINC32092033
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