Vitas-M small molecule compound

2-[(5Z)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}imino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]ethanesulfonic acid

Catalog ID
STK607316
SMILES O=C(/N=c\1/[nH]nc(s1)CCS(=O)(=O)O)Nc1cccc(c1)C(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 C12H11F3N4O4S2 MW 396.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11F3N4O4S2/c13-12(14,15)7-2-1-3-8(6-7)16-10(20)17-11-19-18-9(24-11)4-5-25(21,22)23/h1-3,6H,4-5H2,(H,21,22,23)(H2,16,17,19,20)
InChIKey
OBYXHBSKPINRER-UHFFFAOYSA-N
Synonyms
371198-27-5
2((5Z)5(((3(trifluoromethyl)phenyl)carbamoyl)imino)45dihydro134thiadiazol2yl)ethanesulfonicacid
2(5((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)134THIADIAZOL2YL)ETHANESULFONICACID
371198275
C1=CC(=CC(=C1)NC(=O)NC2=NN=C(S2)CCS(=O)(=O)O)C(F)(F)F
InChI=1SC12H11F3N4O4S2c1312(1415)72138(67)1610(20)171119189(2411)4525(2122)23h136H45H2(H212223)(H216171920)
MFCD08731097
O=C(N=c1(nH)nc(s1)CCS(=O)(=O)O)Nc1cccc(c1)C(F)(F)F
ZINC000004785815
ZINC4785815

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Available files

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